CID 11257808

18z,21z-heptacosadien-10-one

Structural Information

Molecular Formula
C27H50O
SMILES
CCCCCCCCCC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C27H50O/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-27(28)25-23-21-19-10-8-6-4-2/h11-12,14-15H,3-10,13,16-26H2,1-2H3/b12-11-,15-14-
InChIKey
IEMOMXGXBOVRLW-HDXUUTQWSA-N
Compound name
(18Z,21Z)-heptacosa-18,21-dien-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

390.38617 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.39345 212.5
[M+Na]+ 413.37539 211.9
[M-H]- 389.37889 209.0
[M+NH4]+ 408.41999 224.2
[M+K]+ 429.34933 205.2
[M+H-H2O]+ 373.38343 204.5
[M+HCOO]- 435.38437 229.2
[M+CH3COO]- 449.40002 229.0
[M+Na-2H]- 411.36084 207.3
[M]+ 390.38562 220.4
[M]- 390.38672 220.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe