CID 2772353

129592-98-9

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=CC=CC=C1C(C(=O)O)N
InChI
InChI=1S/C9H11NO2/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
InChIKey
FLYIRERUSAMCDQ-UHFFFAOYSA-N
Compound name
2-amino-2-(2-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1883
Patents

165.07898 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.8
[M+Na]+ 188.06820 145.4
[M+NH4]+ 183.11280 142.3
[M+K]+ 204.04214 141.1
[M-H]- 164.07170 136.1
[M+Na-2H]- 186.05365 140.2
[M]+ 165.07843 136.4
[M]- 165.07953 136.4
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