CID 10904256

Apo-12'-lycopenal

Structural Information

Molecular Formula
C25H34O
SMILES
CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=O)/C)/C)/C)C
InChI
InChI=1S/C25H34O/c1-21(2)12-9-15-23(4)17-11-19-24(5)18-10-16-22(3)13-7-8-14-25(6)20-26/h7-8,10-14,16-20H,9,15H2,1-6H3/b8-7+,16-10+,19-11+,22-13+,23-17+,24-18+,25-14+
InChIKey
CTKROHWZDNWNMY-MSWJQUEKSA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E)-2,7,11,15,19-pentamethylicosa-2,4,6,8,10,12,14,18-octaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

350.26096 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26824 193.4
[M+Na]+ 373.25018 195.3
[M-H]- 349.25368 191.4
[M+NH4]+ 368.29478 206.7
[M+K]+ 389.22412 187.5
[M+H-H2O]+ 333.25822 187.4
[M+HCOO]- 395.25916 208.4
[M+CH3COO]- 409.27481 217.2
[M+Na-2H]- 371.23563 185.0
[M]+ 350.26041 193.4
[M]- 350.26151 193.4
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