CID 14566

Methyl 2-benzamidoacetate

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC(=O)CNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
InChIKey
XTKVNQKOTKPCKM-UHFFFAOYSA-N
Compound name
methyl 2-benzamidoacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

121
Patents

193.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 140.7
[M+Na]+ 216.063118 146.9
[M-H]- 192.066624 144.2
[M+NH4]+ 211.107723 159.6
[M+K]+ 232.037058 146.0
[M+H-H2O]+ 176.071160 134.3
[M+HCOO]- 238.072101 165.1
[M+CH3COO]- 252.087751 183.9
[M+Na-2H]- 214.048566 146.2
[M]+ 193.07335142 141.7
[M]- 193.07444858 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe