CID 89738

Methylethanediamide

Structural Information

Molecular Formula
C3H6N2O2
SMILES
CNC(=O)C(=O)N
InChI
InChI=1S/C3H6N2O2/c1-5-3(7)2(4)6/h1H3,(H2,4,6)(H,5,7)
InChIKey
WPRKVIPHGOHZAL-UHFFFAOYSA-N
Compound name
N'-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

378
Patents

102.04293 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.05021 118.1
[M+Na]+ 125.03215 125.0
[M-H]- 101.03565 118.5
[M+NH4]+ 120.07675 140.2
[M+K]+ 141.00609 125.8
[M+H-H2O]+ 85.040190 113.2
[M+HCOO]- 147.04113 143.1
[M+CH3COO]- 161.05678 169.6
[M+Na-2H]- 123.01760 123.4
[M]+ 102.04238 115.5
[M]- 102.04348 115.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe