CID 36618

Methylnitrosocyanamide

Structural Information

Molecular Formula
C2H3N3O
SMILES
CN(C#N)N=O
InChI
InChI=1S/C2H3N3O/c1-5(2-3)4-6/h1H3
InChIKey
DHOYZNRIPLSCPT-UHFFFAOYSA-N
Compound name
methyl(nitroso)cyanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3
Patents

85.02761 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.034886 111.2
[M+Na]+ 108.01683 120.5
[M-H]- 84.020334 114.9
[M+NH4]+ 103.06143 133.1
[M+K]+ 123.99077 123.2
[M+H-H2O]+ 68.024870 99.4
[M+HCOO]- 130.02581 136.4
[M+CH3COO]- 144.04146 186.4
[M+Na-2H]- 106.00228 120.0
[M]+ 85.027061 108.0
[M]- 85.028159 108.0
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