CID 3019847

Benzoic acid, 2-hydroxy-, 3-hydroxybutyl ester

Structural Information

Molecular Formula
C11H14O4
SMILES
CC(CCOC(=O)C1=CC=CC=C1O)O
InChI
InChI=1S/C11H14O4/c1-8(12)6-7-15-11(14)9-4-2-3-5-10(9)13/h2-5,8,12-13H,6-7H2,1H3
InChIKey
GOWRHHXEUNPVIC-UHFFFAOYSA-N
Compound name
3-hydroxybutyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

210.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 145.7
[M+Na]+ 233.07842 151.9
[M-H]- 209.08192 146.6
[M+NH4]+ 228.12302 163.0
[M+K]+ 249.05236 150.3
[M+H-H2O]+ 193.08646 139.9
[M+HCOO]- 255.08740 165.7
[M+CH3COO]- 269.10305 181.7
[M+Na-2H]- 231.06387 148.6
[M]+ 210.08865 146.6
[M]- 210.08975 146.6
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