CID 5312807

3r-hydroxy-5z-dodecenoic acid

Structural Information

Molecular Formula
C12H22O3
SMILES
CCCCCC/C=C\C[C@H](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-/t11-/m1/s1
InChIKey
GZUALOWLHSCENG-SKVAFPRGSA-N
Compound name
(Z,3R)-3-hydroxydodec-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

literature stripe

Patent stripe

patents stripe