CID 93642

Methyl 2-carbamoyl-3-phenylpropionate

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC(=O)C(CC1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C11H13NO3/c1-15-11(14)9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,12,13)
InChIKey
MBGQTVLDUWAMMN-UHFFFAOYSA-N
Compound name
methyl 3-amino-2-benzyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

207.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 146.0
[M+Na]+ 230.078758 151.4
[M-H]- 206.082264 148.9
[M+NH4]+ 225.123363 163.9
[M+K]+ 246.052698 150.5
[M+H-H2O]+ 190.086800 139.5
[M+HCOO]- 252.087741 168.4
[M+CH3COO]- 266.103391 187.9
[M+Na-2H]- 228.064206 148.6
[M]+ 207.08899142 145.8
[M]- 207.09008858 145.8
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