CID 379180

Nsc663589

Structural Information

Molecular Formula
C6H6N4O2
SMILES
CC(=O)C(=[N+]=[N-])C(=O)NCC#N
InChI
InChI=1S/C6H6N4O2/c1-4(11)5(10-8)6(12)9-3-2-7/h3H2,1H3,(H,9,12)
InChIKey
DTGFTVZXEQQXNW-UHFFFAOYSA-N
Compound name
N-(cyanomethyl)-2-diazo-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04907 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05635 140.5
[M+Na]+ 189.03829 147.3
[M-H]- 165.04179 142.0
[M+NH4]+ 184.08289 157.7
[M+K]+ 205.01223 143.6
[M+H-H2O]+ 149.04633 132.1
[M+HCOO]- 211.04727 163.1
[M+CH3COO]- 225.06292 191.4
[M+Na-2H]- 187.02374 145.4
[M]+ 166.04852 132.1
[M]- 166.04962 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.