CID 62163

60153-49-3

Structural Information

Molecular Formula
C4H7N3O
SMILES
CN(CCC#N)N=O
InChI
InChI=1S/C4H7N3O/c1-7(6-8)4-2-3-5/h2,4H2,1H3
InChIKey
HZDLDFBKYBGNHG-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

69
Patents

113.058914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 119.2
[M+Na]+ 136.04813 127.8
[M-H]- 112.05164 122.6
[M+NH4]+ 131.09274 140.2
[M+K]+ 152.02207 130.0
[M+H-H2O]+ 96.056174 107.1
[M+HCOO]- 158.05712 143.9
[M+CH3COO]- 172.07276 191.9
[M+Na-2H]- 134.03358 127.1
[M]+ 113.05837 116.7
[M]- 113.05946 116.7
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