CID 21578706

1-methyl-4-(prop-1-en-2-yl)-3-(3,7,11,15-tetramethyl-hexadeca-1,10e,14-trien-7-yl)-cyclohex-1-ene

Structural Information

Molecular Formula
C30H50
SMILES
CC1=CC(C(CC1)C(=C)C)C(C)(CCCC(C)C=C)CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C30H50/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h10,14,17,22,25,28-29H,1,4,11-13,15-16,18-21H2,2-3,5-9H3/b26-17+
InChIKey
ZJVXDMICLAHVAH-YZSQISJMSA-N
Compound name
1-methyl-4-prop-1-en-2-yl-3-[(10E)-3,7,11,15-tetramethylhexadeca-1,10,14-trien-7-yl]cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.39127 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.39855 211.3
[M+Na]+ 433.38049 210.7
[M-H]- 409.38399 211.7
[M+NH4]+ 428.42509 222.3
[M+K]+ 449.35443 204.1
[M+H-H2O]+ 393.38853 204.4
[M+HCOO]- 455.38947 221.3
[M+CH3COO]- 469.40512 236.2
[M+Na-2H]- 431.36594 201.6
[M]+ 410.39072 211.0
[M]- 410.39182 211.0
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.