CID 3018229

2-hydroxypropyl salicylate

Structural Information

Molecular Formula
C10H12O4
SMILES
CC(COC(=O)C1=CC=CC=C1O)O
InChI
InChI=1S/C10H12O4/c1-7(11)6-14-10(13)8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3
InChIKey
CEGJMSLTYGORDN-UHFFFAOYSA-N
Compound name
2-hydroxypropyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

42
Patents

196.07356 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe