CID 54256021

Schembl10935145

Structural Information

Molecular Formula
C3H6N2O
SMILES
C(C=O)N=CN
InChI
InChI=1S/C3H6N2O/c4-3-5-1-2-6/h2-3H,1H2,(H2,4,5)
InChIKey
WLHBIWWJKPXTOC-UHFFFAOYSA-N
Compound name
N'-(2-oxoethyl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

86.04801 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 112.8
[M+Na]+ 109.037228 120.5
[M-H]- 85.040734 114.4
[M+NH4]+ 104.081833 136.4
[M+K]+ 125.011168 120.9
[M+H-H2O]+ 69.045270 107.9
[M+HCOO]- 131.046211 141.1
[M+CH3COO]- 145.061861 169.1
[M+Na-2H]- 107.022676 121.4
[M]+ 86.04746142 112.1
[M]- 86.04855858 112.1
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

patents stripe