CID 5312315

18-methyl-5z,8z,11z,14z-nonadecatetraenoic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
CC(C)CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H32O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,10-13,19H,3,8-9,14-18H2,1-2H3,(H,21,22)/b6-4-,7-5-,12-10-,13-11-
InChIKey
RYZDSXURMZIIOO-XBOCNYGYSA-N
Compound name
(5Z,8Z,11Z,14Z)-18-methylnonadeca-5,8,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 182.8
[M+Na]+ 327.22945 185.2
[M-H]- 303.23295 179.5
[M+NH4]+ 322.27405 197.2
[M+K]+ 343.20339 179.2
[M+H-H2O]+ 287.23749 176.5
[M+HCOO]- 349.23843 200.1
[M+CH3COO]- 363.25408 205.2
[M+Na-2H]- 325.21490 179.6
[M]+ 304.23968 185.3
[M]- 304.24078 185.3
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.