CID 171120084

Dihydro-?,?-carotene

Structural Information

Molecular Formula
C40H58
SMILES
CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(=C)CCCC1(C)C)/C)/C)/C)C
InChI
InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27,29-30,39H,8,13,15,17,21,26,28,31H2,1-7,9-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
InChIKey
ZXKNHEUWDPWPRC-FILYMEKXSA-N
Compound name
2-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,1-dimethyl-3-methylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.45386 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.46114 239.9
[M+Na]+ 561.44308 237.0
[M-H]- 537.44658 238.5
[M+NH4]+ 556.48768 244.1
[M+K]+ 577.41702 225.1
[M+H-H2O]+ 521.45112 233.6
[M+HCOO]- 583.45206 242.9
[M+CH3COO]- 597.46771 255.9
[M+Na-2H]- 559.42853 223.2
[M]+ 538.45331 235.9
[M]- 538.45441 235.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.