CID 344895

2-methoxy-2-phenylpropanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

138
Patents

180.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.9
[M+Na]+ 203.06786 149.1
[M+NH4]+ 198.11246 145.3
[M+K]+ 219.04180 144.7
[M-H]- 179.07136 138.2
[M+Na-2H]- 201.05331 144.0
[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