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

36
Patents

179.09464 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 140.1
[M+Na]+ 202.08386 145.2
[M-H]- 178.08736 141.7
[M+NH4]+ 197.12846 158.4
[M+K]+ 218.05780 143.6
[M+H-H2O]+ 162.09190 134.1
[M+HCOO]- 224.09284 160.8
[M+CH3COO]- 238.10849 181.8
[M+Na-2H]- 200.06931 142.6
[M]+ 179.09409 136.9
[M]- 179.09519 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