CID 20678

Methylvinylnitrosamine

Structural Information

Molecular Formula
C3H6N2O
SMILES
CN(C=C)N=O
InChI
InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3
InChIKey
AWZVYNHQGTZJIH-UHFFFAOYSA-N
Compound name
N-ethenyl-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

99
Patents

86.04801 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 112.2
[M+Na]+ 109.03723 120.1
[M-H]- 85.040734 115.9
[M+NH4]+ 104.08183 136.7
[M+K]+ 125.01117 122.2
[M+H-H2O]+ 69.045270 107.1
[M+HCOO]- 131.04621 141.6
[M+CH3COO]- 145.06186 174.0
[M+Na-2H]- 107.02268 121.2
[M]+ 86.047461 114.0
[M]- 86.048559 114.0
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