CID 22346587

3-amino-2-methyl-3-phenylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC(C(C1=CC=CC=C1)N)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)
InChIKey
OWJWPDFSPYKDDA-UHFFFAOYSA-N
Compound name
3-amino-2-methyl-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

179.09464 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 140.1
[M+Na]+ 202.083858 145.2
[M-H]- 178.087364 141.7
[M+NH4]+ 197.128463 158.4
[M+K]+ 218.057798 143.6
[M+H-H2O]+ 162.091900 134.1
[M+HCOO]- 224.092841 160.8
[M+CH3COO]- 238.108491 181.8
[M+Na-2H]- 200.069306 142.6
[M]+ 179.09409142 136.9
[M]- 179.09518858 136.9
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