CID 86289764

11-hydroxy-2-undecenoic acid

Structural Information

Molecular Formula
C11H20O3
SMILES
C(CCCCO)CCC/C=C/C(=O)O
InChI
InChI=1S/C11H20O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h7,9,12H,1-6,8,10H2,(H,13,14)/b9-7+
InChIKey
UHMWYQAZYGDJGM-VQHVLOKHSA-N
Compound name
(E)-11-hydroxyundec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.14125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 149.7
[M+Na]+ 223.130468 154.4
[M-H]- 199.133974 146.3
[M+NH4]+ 218.175073 167.5
[M+K]+ 239.104408 151.7
[M+H-H2O]+ 183.138510 144.6
[M+HCOO]- 245.139451 169.0
[M+CH3COO]- 259.155101 181.3
[M+Na-2H]- 221.115916 151.8
[M]+ 200.14070142 151.3
[M]- 200.14179858 151.3
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