CID 385288

Nsc676400

Structural Information

Molecular Formula
C10H16N4O2
SMILES
C1CC(C1)(CN2C=NC(=C2N)C(=O)N)CO
InChI
InChI=1S/C10H16N4O2/c11-8-7(9(12)16)13-6-14(8)4-10(5-15)2-1-3-10/h6,15H,1-5,11H2,(H2,12,16)
InChIKey
TWXXWZQLHZZNLU-UHFFFAOYSA-N
Compound name
5-amino-1-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 153.9
[M+Na]+ 247.11654 158.5
[M-H]- 223.12004 155.8
[M+NH4]+ 242.16114 164.6
[M+K]+ 263.09048 159.1
[M+H-H2O]+ 207.12458 141.1
[M+HCOO]- 269.12552 172.9
[M+CH3COO]- 283.14117 193.3
[M+Na-2H]- 245.10199 155.0
[M]+ 224.12677 158.6
[M]- 224.12787 158.6
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.