CID 20161

Isopropyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(C)OC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3
InChIKey
CMHMMKSPYOOVGI-UHFFFAOYSA-N
Compound name
propan-2-yl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

7546
Patents

180.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.9
[M+Na]+ 203.06786 149.5
[M+NH4]+ 198.11246 145.4
[M+K]+ 219.04180 144.8
[M-H]- 179.07136 138.6
[M+Na-2H]- 201.05331 143.4
[M]+ 180.07809 139.5
[M]- 180.07919 139.5
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