CID 44610297

(z)-3-hydroxydodec-5-enoic acid

Structural Information

Molecular Formula
C12H22O3
SMILES
CCCCCC/C=C\CC(CC(=O)O)O
InChI
InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h7-8,11,13H,2-6,9-10H2,1H3,(H,14,15)/b8-7-
InChIKey
GZUALOWLHSCENG-FPLPWBNLSA-N
Compound name
(Z)-3-hydroxydodec-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

214.15689 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.164166 154.8
[M+Na]+ 237.146108 158.8
[M-H]- 213.149614 151.3
[M+NH4]+ 232.190713 172.0
[M+K]+ 253.120048 156.3
[M+H-H2O]+ 197.154150 149.5
[M+HCOO]- 259.155091 172.7
[M+CH3COO]- 273.170741 185.1
[M+Na-2H]- 235.131556 155.0
[M]+ 214.15634142 156.0
[M]- 214.15743858 156.0
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

patents stripe