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]+ 285.24242 177.4
[M+Na]+ 307.22436 179.3
[M-H]- 283.22786 172.9
[M+NH4]+ 302.26896 191.7
[M+K]+ 323.19830 175.5
[M+H-H2O]+ 267.23240 171.2
[M+HCOO]- 329.23334 193.6
[M+CH3COO]- 343.24899 200.1
[M+Na-2H]- 305.20981 175.0
[M]+ 284.23459 180.5
[M]- 284.23569 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.