CID 102466357

(e)-12-hydroxyheptadec-14-enoic acid

Structural Information

Molecular Formula
C17H32O3
SMILES
CC/C=C/CC(CCCCCCCCCCC(=O)O)O
InChI
InChI=1S/C17H32O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h3,10,16,18H,2,4-9,11-15H2,1H3,(H,19,20)/b10-3+
InChIKey
XKSZWWLJXWMTGX-XCVCLJGOSA-N
Compound name
(E)-12-hydroxyheptadec-14-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.23514 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.242416 177.4
[M+Na]+ 307.224358 179.3
[M-H]- 283.227864 172.9
[M+NH4]+ 302.268963 191.7
[M+K]+ 323.198298 175.5
[M+H-H2O]+ 267.232400 171.2
[M+HCOO]- 329.233341 193.6
[M+CH3COO]- 343.248991 200.1
[M+Na-2H]- 305.209806 175.0
[M]+ 284.23459142 180.5
[M]- 284.23568858 180.5
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.