CID 2772349

1403775-19-8

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC1=CC=CC=C1C(C(=O)O)N
InChI
InChI=1S/C9H11NO3/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
InChIKey
DQSACLYOIBPCJU-UHFFFAOYSA-N
Compound name
2-amino-2-(2-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
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

No literature data available for this compound.

Patent stripe

patents stripe