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]+ 203.10263 144.8
[M+Na]+ 225.08457 149.6
[M-H]- 201.08807 144.9
[M+NH4]+ 220.12917 163.1
[M+K]+ 241.05851 150.4
[M+H-H2O]+ 185.09261 138.7
[M+HCOO]- 247.09355 168.6
[M+CH3COO]- 261.10920 189.0
[M+Na-2H]- 223.07002 147.5
[M]+ 202.09480 146.6
[M]- 202.09590 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.