CID 11321486

Hydroxy-phenyl-acetic acid isopropyl ester

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)OC(=O)[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C11H14O3/c1-8(2)14-11(13)10(12)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3/t10-/m1/s1
InChIKey
SCJJMBMUZTUIJU-SNVBAGLBSA-N
Compound name
propan-2-yl (2R)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

194.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.9
[M+Na]+ 217.08352 148.5
[M-H]- 193.08702 145.0
[M+NH4]+ 212.12812 161.3
[M+K]+ 233.05746 147.7
[M+H-H2O]+ 177.09156 137.1
[M+HCOO]- 239.09250 163.2
[M+CH3COO]- 253.10815 181.9
[M+Na-2H]- 215.06897 145.8
[M]+ 194.09375 143.3
[M]- 194.09485 143.3
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