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]+ 197.08084 140.7
[M+Na]+ 219.06278 147.8
[M-H]- 195.06628 140.8
[M+NH4]+ 214.10738 158.2
[M+K]+ 235.03672 145.6
[M+H-H2O]+ 179.07082 135.7
[M+HCOO]- 241.07176 159.5
[M+CH3COO]- 255.08741 178.2
[M+Na-2H]- 217.04823 143.0
[M]+ 196.07301 140.0
[M]- 196.07411 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.