CID 377748

Nsc659339

Structural Information

Molecular Formula
C8H10N6
SMILES
CC(=NN1C=NC(=C1N)C(=N)C#N)C
InChI
InChI=1S/C8H10N6/c1-5(2)13-14-4-12-7(8(14)11)6(10)3-9/h4,10H,11H2,1-2H3
InChIKey
IMEMQPMTLTXEMV-UHFFFAOYSA-N
Compound name
5-amino-1-(propan-2-ylideneamino)imidazole-4-carboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0967 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10398 144.5
[M+Na]+ 213.08592 152.7
[M-H]- 189.08942 145.8
[M+NH4]+ 208.13052 160.3
[M+K]+ 229.05986 151.5
[M+H-H2O]+ 173.09396 129.1
[M+HCOO]- 235.09490 165.2
[M+CH3COO]- 249.11055 204.5
[M+Na-2H]- 211.07137 146.8
[M]+ 190.09615 136.9
[M]- 190.09725 136.9
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.