CID 385985

2-cyano-2-nitrosoacetamide

Structural Information

Molecular Formula
C3H3N3O2
SMILES
C(#N)C(C(=O)N)N=O
InChI
InChI=1S/C3H3N3O2/c4-1-2(6-8)3(5)7/h2H,(H2,5,7)
InChIKey
DXISQUITOXALCU-UHFFFAOYSA-N
Compound name
2-cyano-2-nitrosoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

109
Patents

113.02253 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.02981 120.8
[M+Na]+ 136.01175 129.3
[M-H]- 112.01525 122.6
[M+NH4]+ 131.05635 140.5
[M+K]+ 151.98569 130.9
[M+H-H2O]+ 96.019790 108.8
[M+HCOO]- 158.02073 143.2
[M+CH3COO]- 172.03638 187.9
[M+Na-2H]- 133.99720 126.2
[M]+ 113.02198 115.2
[M]- 113.02308 115.2
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