CID 12780978

11-hydroxy-9-undecenoic acid

Structural Information

Molecular Formula
C11H20O3
SMILES
C(CCC/C=C/CO)CCCC(=O)O
InChI
InChI=1S/C11H20O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h6,8,12H,1-5,7,9-10H2,(H,13,14)/b8-6+
InChIKey
BPHFVCJDRAVONJ-SOFGYWHQSA-N
Compound name
(E)-11-hydroxyundec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

35
Patents

200.14125 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe