CID 24209058

2-hydroxy-4-(1-hydroxypropyl)benzoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
CCC(C1=CC(=C(C=C1)C(=O)O)O)O
InChI
InChI=1S/C10H12O4/c1-2-8(11)6-3-4-7(10(13)14)9(12)5-6/h3-5,8,11-12H,2H2,1H3,(H,13,14)
InChIKey
AEGYDZFWRWAZBS-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(1-hydroxypropyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07356 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 140.7
[M+Na]+ 219.062778 147.8
[M-H]- 195.066284 140.8
[M+NH4]+ 214.107383 158.2
[M+K]+ 235.036718 145.6
[M+H-H2O]+ 179.070820 135.7
[M+HCOO]- 241.071761 159.5
[M+CH3COO]- 255.087411 178.2
[M+Na-2H]- 217.048226 143.0
[M]+ 196.07301142 140.0
[M]- 196.07410858 140.0
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

No patent data available for this compound.