CID 465197

N-[5-amino-4-(1-cyano-2-imino-ethyl)imidazol-1-yl]acetamide

Structural Information

Molecular Formula
C8H10N6O
SMILES
CC(=O)NN1C=NC(=C1N)C(C=N)C#N
InChI
InChI=1S/C8H10N6O/c1-5(15)13-14-4-12-7(8(14)11)6(2-9)3-10/h2,4,6,9H,11H2,1H3,(H,13,15)
InChIKey
KAPWGISTQLZRPU-UHFFFAOYSA-N
Compound name
N-[5-amino-4-(1-cyano-2-iminoethyl)imidazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09161 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09889 147.4
[M+Na]+ 229.08083 155.0
[M-H]- 205.08433 147.4
[M+NH4]+ 224.12543 161.9
[M+K]+ 245.05477 153.7
[M+H-H2O]+ 189.08887 132.1
[M+HCOO]- 251.08981 167.0
[M+CH3COO]- 265.10546 204.3
[M+Na-2H]- 227.06628 149.3
[M]+ 206.09106 139.3
[M]- 206.09216 139.3
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.