CID 5312747

(z)-12-hydroxydodec-3-enoic acid

Structural Information

Molecular Formula
C12H22O3
SMILES
C(CCCCO)CCC/C=C\CC(=O)O
InChI
InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h6,8,13H,1-5,7,9-11H2,(H,14,15)/b8-6-
InChIKey
RRJILZUCEDMMNU-VURMDHGXSA-N
Compound name
(Z)-12-hydroxydodec-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.15689 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 154.2
[M+Na]+ 237.14611 158.5
[M-H]- 213.14961 150.6
[M+NH4]+ 232.19071 171.5
[M+K]+ 253.12005 155.5
[M+H-H2O]+ 197.15415 148.9
[M+HCOO]- 259.15509 173.2
[M+CH3COO]- 273.17074 184.3
[M+Na-2H]- 235.13156 155.8
[M]+ 214.15634 156.2
[M]- 214.15744 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe