CID 61938396

2-amino-3-methoxy-2-phenylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C10H13NO3
SMILES
COCC(C1=CC=CC=C1)(C(=O)O)N
InChI
InChI=1S/C10H13NO3/c1-14-7-10(11,9(12)13)8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)
InChIKey
HCAGWABLSQFTGA-UHFFFAOYSA-N
Compound name
2-amino-3-methoxy-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

195.08954 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.9
[M+Na]+ 218.07876 147.9
[M-H]- 194.08226 143.6
[M+NH4]+ 213.12336 159.8
[M+K]+ 234.05270 146.3
[M+H-H2O]+ 178.08680 136.2
[M+HCOO]- 240.08774 163.4
[M+CH3COO]- 254.10339 182.4
[M+Na-2H]- 216.06421 147.9
[M]+ 195.08899 141.0
[M]- 195.09009 141.0
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