CID 10877858

Dtxsid001381631

Structural Information

Molecular Formula
C8H13NO4
SMILES
CCOC(=O)/C=C(/C)\NCC(=O)O
InChI
InChI=1S/C8H13NO4/c1-3-13-8(12)4-6(2)9-5-7(10)11/h4,9H,3,5H2,1-2H3,(H,10,11)/b6-4-
InChIKey
DKYWFRSRSQGVRL-XQRVVYSFSA-N
Compound name
2-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 141.3
[M+Na]+ 210.07368 146.5
[M-H]- 186.07718 140.0
[M+NH4]+ 205.11828 159.7
[M+K]+ 226.04762 146.4
[M+H-H2O]+ 170.08172 135.9
[M+HCOO]- 232.08266 162.5
[M+CH3COO]- 246.09831 182.1
[M+Na-2H]- 208.05913 143.2
[M]+ 187.08391 142.1
[M]- 187.08501 142.1
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.