CID 3770624

Methyl 3-amino-2-phenylpropanoate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

179.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 139.5
[M+Na]+ 202.08386 145.4
[M-H]- 178.08736 142.5
[M+NH4]+ 197.12846 158.8
[M+K]+ 218.05780 144.2
[M+H-H2O]+ 162.09190 133.2
[M+HCOO]- 224.09284 162.8
[M+CH3COO]- 238.10849 182.7
[M+Na-2H]- 200.06931 143.8
[M]+ 179.09409 138.8
[M]- 179.09519 138.8
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