CID 3005072

Nsc670241

Structural Information

Molecular Formula
C7H8N6O
SMILES
CC(=O)NNC=N/C(=C(\C#N)/N)/C#N
InChI
InChI=1S/C7H8N6O/c1-5(14)13-12-4-11-7(3-9)6(10)2-8/h4H,10H2,1H3,(H,11,12)(H,13,14)/b7-6+
InChIKey
QCEVBPISDUCPGZ-VOTSOKGWSA-N
Compound name
N-acetamido-N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07596 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.083236 160.5
[M+Na]+ 215.065178 166.0
[M-H]- 191.068684 162.3
[M+NH4]+ 210.109783 171.9
[M+K]+ 231.039118 167.0
[M+H-H2O]+ 175.073220 144.5
[M+HCOO]- 237.074161 174.1
[M+CH3COO]- 251.089811 222.9
[M+Na-2H]- 213.050626 160.2
[M]+ 192.07541142 149.5
[M]- 192.07650858 149.5
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.