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]+ 225.134596 153.9
[M+Na]+ 247.116538 158.5
[M-H]- 223.120044 155.8
[M+NH4]+ 242.161143 164.6
[M+K]+ 263.090478 159.1
[M+H-H2O]+ 207.124580 141.1
[M+HCOO]- 269.125521 172.9
[M+CH3COO]- 283.141171 193.3
[M+Na-2H]- 245.101986 155.0
[M]+ 224.12677142 158.6
[M]- 224.12786858 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.