CID 171121237

Tetradehydrolycopenal

Structural Information

Molecular Formula
C40H50O
SMILES
CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=O)/C)/C)/C)C
InChI
InChI=1S/C40H50O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-32H,1-9H3/b11-10+,21-12+,22-13+,23-14+,27-15+,28-16+,30-17+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+
InChIKey
OIJOLZHLZSBNSM-YETMAZIFSA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.38617 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.39345 232.8
[M+Na]+ 569.37539 250.7
[M-H]- 545.37889 234.1
[M+NH4]+ 564.41999 247.1
[M+K]+ 585.34933 250.5
[M+H-H2O]+ 529.38343 236.8
[M+HCOO]- 591.38437 234.9
[M+CH3COO]- 605.40002 253.1
[M+Na-2H]- 567.36084 227.6
[M]+ 546.38562 231.3
[M]- 546.38672 231.3
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.