CID 578453

2-hydroxypropyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C10H12O4
SMILES
CC(COC(=O)C1=CC=C(C=C1)O)O
InChI
InChI=1S/C10H12O4/c1-7(11)6-14-10(13)8-2-4-9(12)5-3-8/h2-5,7,11-12H,6H2,1H3
InChIKey
HSFHQJDXOFHWNQ-UHFFFAOYSA-N
Compound name
2-hydroxypropyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 141.0
[M+Na]+ 219.062778 147.7
[M-H]- 195.066284 142.1
[M+NH4]+ 214.107383 158.9
[M+K]+ 235.036718 146.3
[M+H-H2O]+ 179.070820 135.5
[M+HCOO]- 241.071761 161.3
[M+CH3COO]- 255.087411 178.7
[M+Na-2H]- 217.048226 144.5
[M]+ 196.07301142 141.6
[M]- 196.07410858 141.6
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