CID 19376

Acetonitrile, 2(n-methyl-n-nitroso)amino-

Structural Information

Molecular Formula
C3H5N3O
SMILES
CN(CC#N)N=O
InChI
InChI=1S/C3H5N3O/c1-6(5-7)3-2-4/h3H2,1H3
InChIKey
KJIVJRGXJXQEQK-UHFFFAOYSA-N
Compound name
N-(cyanomethyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

23
Patents

99.04326 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 115.2
[M+Na]+ 122.03248 124.2
[M-H]- 98.035984 118.7
[M+NH4]+ 117.07708 136.6
[M+K]+ 138.00642 126.6
[M+H-H2O]+ 82.040520 103.2
[M+HCOO]- 144.04146 140.2
[M+CH3COO]- 158.05711 189.1
[M+Na-2H]- 120.01793 123.6
[M]+ 99.042711 112.4
[M]- 99.043809 112.4
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