CID 43404724

1156429-67-2

Structural Information

Molecular Formula
C8H14N2O4
SMILES
CC(=O)NCCC(=O)NCC(=O)OC
InChI
InChI=1S/C8H14N2O4/c1-6(11)9-4-3-7(12)10-5-8(13)14-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKey
SASHJKKSJZPXJG-UHFFFAOYSA-N
Compound name
methyl 2-(3-acetamidopropanoylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.09535 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.102626 144.8
[M+Na]+ 225.084568 149.6
[M-H]- 201.088074 144.9
[M+NH4]+ 220.129173 163.1
[M+K]+ 241.058508 150.4
[M+H-H2O]+ 185.092610 138.7
[M+HCOO]- 247.093551 168.6
[M+CH3COO]- 261.109201 189.0
[M+Na-2H]- 223.070016 147.5
[M]+ 202.09480142 146.6
[M]- 202.09589858 146.6
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.