CID 74935315

Ns00061171

Structural Information

Molecular Formula
C13H15NO4
SMILES
CC(C1=CC=CC=C1)N(C=O)C(C=O)C(=O)OC
InChI
InChI=1S/C13H15NO4/c1-10(11-6-4-3-5-7-11)14(9-16)12(8-15)13(17)18-2/h3-10,12H,1-2H3
InChIKey
YXILPKRGFXXFBH-UHFFFAOYSA-N
Compound name
methyl 2-[formyl(1-phenylethyl)amino]-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 155.5
[M+Na]+ 272.089328 160.4
[M-H]- 248.092834 160.0
[M+NH4]+ 267.133933 172.4
[M+K]+ 288.063268 160.8
[M+H-H2O]+ 232.097370 148.3
[M+HCOO]- 294.098311 178.8
[M+CH3COO]- 308.113961 199.2
[M+Na-2H]- 270.074776 157.5
[M]+ 249.09956142 159.1
[M]- 249.10065858 159.1
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.