CID 24779570

Dolichoic acid-[18-20]

Structural Information

Molecular Formula
C25H42O2
SMILES
C[C@@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CC(=O)O
InChI
InChI=1S/C25H42O2/c1-20(2)11-7-12-21(3)13-8-14-22(4)15-9-16-23(5)17-10-18-24(6)19-25(26)27/h11,13,15,17,24H,7-10,12,14,16,18-19H2,1-6H3,(H,26,27)/b21-13+,22-15+,23-17-/t24-/m0/s1
InChIKey
ODMPTSNPVHBMBA-ZTWRLTPTSA-N
Compound name
(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.31848 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.32576 204.8
[M+Na]+ 397.30770 204.4
[M-H]- 373.31120 200.9
[M+NH4]+ 392.35230 206.7
[M+K]+ 413.28164 199.2
[M+H-H2O]+ 357.31574 198.4
[M+HCOO]- 419.31668 202.4
[M+CH3COO]- 433.33233 223.3
[M+Na-2H]- 395.29315 194.2
[M]+ 374.31793 206.6
[M]- 374.31903 206.6
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.