CID 171119112

(e)-6-methylnonadec-9-enoic acid

Structural Information

Molecular Formula
C20H38O2
SMILES
CCCCCCCCC/C=C/CCC(C)CCCCC(=O)O
InChI
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19(2)17-14-15-18-20(21)22/h11-12,19H,3-10,13-18H2,1-2H3,(H,21,22)/b12-11+
InChIKey
ADPXSSSUBLSXMG-VAWYXSNFSA-N
Compound name
(E)-6-methylnonadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.28717 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.29445 187.5
[M+Na]+ 333.27639 188.7
[M-H]- 309.27989 184.0
[M+NH4]+ 328.32099 201.7
[M+K]+ 349.25033 184.6
[M+H-H2O]+ 293.28443 180.8
[M+HCOO]- 355.28537 204.1
[M+CH3COO]- 369.30102 209.7
[M+Na-2H]- 331.26184 184.1
[M]+ 310.28662 192.3
[M]- 310.28772 192.3
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.