CID 25807

Vinylethylnitrosamine

Structural Information

Molecular Formula
C4H8N2O
SMILES
CCN(C=C)N=O
InChI
InChI=1S/C4H8N2O/c1-3-6(4-2)5-7/h3H,1,4H2,2H3
InChIKey
KAXILSKFDQXZPP-UHFFFAOYSA-N
Compound name
N-ethenyl-N-ethylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

62
Patents

100.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 116.9
[M+Na]+ 123.05288 124.4
[M-H]- 99.056384 120.4
[M+NH4]+ 118.09748 140.9
[M+K]+ 139.02682 126.2
[M+H-H2O]+ 83.060920 111.6
[M+HCOO]- 145.06186 146.0
[M+CH3COO]- 159.07751 177.1
[M+Na-2H]- 121.03833 125.3
[M]+ 100.06311 119.0
[M]- 100.06421 119.0
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