CID 12801511

84100-48-1

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC(C1=CC=CC=C1)N(CC(=O)OC)C=O
InChI
InChI=1S/C12H15NO3/c1-10(11-6-4-3-5-7-11)13(9-14)8-12(15)16-2/h3-7,9-10H,8H2,1-2H3
InChIKey
WRQXFUFVQOQZPB-UHFFFAOYSA-N
Compound name
methyl 2-[formyl(1-phenylethyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 149.5
[M+Na]+ 244.094418 154.9
[M-H]- 220.097924 154.2
[M+NH4]+ 239.139023 167.8
[M+K]+ 260.068358 155.0
[M+H-H2O]+ 204.102460 142.5
[M+HCOO]- 266.103401 173.7
[M+CH3COO]- 280.119051 194.1
[M+Na-2H]- 242.079866 153.2
[M]+ 221.10465142 152.6
[M]- 221.10574858 152.6
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

No patent data available for this compound.