CID 385286

Nsc676397

Structural Information

Molecular Formula
C9H14N4O2
SMILES
C1CC(C1)(CN2C=NC(=N2)C(=O)N)CO
InChI
InChI=1S/C9H14N4O2/c10-7(15)8-11-6-13(12-8)4-9(5-14)2-1-3-9/h6,14H,1-5H2,(H2,10,15)
InChIKey
QXDSLOBEQXRNHY-UHFFFAOYSA-N
Compound name
1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 148.0
[M+Na]+ 233.10090 153.3
[M-H]- 209.10440 148.9
[M+NH4]+ 228.14550 158.3
[M+K]+ 249.07484 154.3
[M+H-H2O]+ 193.10894 135.0
[M+HCOO]- 255.10988 165.8
[M+CH3COO]- 269.12553 187.5
[M+Na-2H]- 231.08635 151.0
[M]+ 210.11113 154.3
[M]- 210.11223 154.3
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.