CID 31722

2-amino-2-phenylpropanoic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(C1=CC=CC=C1)(C(=O)O)N
InChI
InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)
InChIKey
HTCSFFGLRQDZDE-UHFFFAOYSA-N
Compound name
2-amino-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8005
Patents

165.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.8
[M+Na]+ 188.06820 145.0
[M+NH4]+ 183.11280 142.2
[M+K]+ 204.04214 140.9
[M-H]- 164.07170 135.6
[M+Na-2H]- 186.05365 140.6
[M]+ 165.07843 136.2
[M]- 165.07953 136.2
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