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]+ 193.08324 160.5
[M+Na]+ 215.06518 166.0
[M-H]- 191.06868 162.3
[M+NH4]+ 210.10978 171.9
[M+K]+ 231.03912 167.0
[M+H-H2O]+ 175.07322 144.5
[M+HCOO]- 237.07416 174.1
[M+CH3COO]- 251.08981 222.9
[M+Na-2H]- 213.05063 160.2
[M]+ 192.07541 149.5
[M]- 192.07651 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.