CID 68410668

1-hydroxypropan-2-yl 4-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 141.0
[M+Na]+ 219.06278 147.7
[M-H]- 195.06628 142.1
[M+NH4]+ 214.10738 158.9
[M+K]+ 235.03672 146.3
[M+H-H2O]+ 179.07082 135.5
[M+HCOO]- 241.07176 161.3
[M+CH3COO]- 255.08741 178.7
[M+Na-2H]- 217.04823 144.5
[M]+ 196.07301 141.6
[M]- 196.07411 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