CID 265441

2-amino-2-(3-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC1=CC=CC(=C1)C(C(=O)O)N
InChI
InChI=1S/C9H11NO3/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
InChIKey
UMKVNPOZWRHJPM-UHFFFAOYSA-N
Compound name
2-amino-2-(3-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

82
Patents

181.0739 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.5
[M+Na]+ 204.063118 144.2
[M-H]- 180.066624 139.6
[M+NH4]+ 199.107723 156.1
[M+K]+ 220.037058 143.0
[M+H-H2O]+ 164.071160 131.7
[M+HCOO]- 226.072101 159.9
[M+CH3COO]- 240.087751 181.1
[M+Na-2H]- 202.048566 141.2
[M]+ 181.07335142 136.5
[M]- 181.07444858 136.5
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