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

154
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 137.3
[M+Na]+ 203.06786 144.3
[M-H]- 179.07136 139.7
[M+NH4]+ 198.11246 156.6
[M+K]+ 219.04180 143.1
[M+H-H2O]+ 163.07590 132.2
[M+HCOO]- 225.07684 158.4
[M+CH3COO]- 239.09249 178.0
[M+Na-2H]- 201.05331 144.1
[M]+ 180.07809 138.3
[M]- 180.07919 138.3
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