CID 27830

N-nitrosodiacetonitrile

Structural Information

Molecular Formula
C4H4N4O
SMILES
C(C#N)N(CC#N)N=O
InChI
InChI=1S/C4H4N4O/c5-1-3-8(7-9)4-2-6/h3-4H2
InChIKey
KQKDJPIPZMNIDQ-UHFFFAOYSA-N
Compound name
N,N-bis(cyanomethyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

124.03851 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.04579 135.9
[M+Na]+ 147.02773 144.1
[M-H]- 123.03123 139.5
[M+NH4]+ 142.07233 150.6
[M+K]+ 163.00167 145.5
[M+H-H2O]+ 107.03577 120.7
[M+HCOO]- 169.03671 151.8
[M+CH3COO]- 183.05236 213.9
[M+Na-2H]- 145.01318 140.3
[M]+ 124.03796 129.5
[M]- 124.03906 129.5
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