CID 75356201

1-(azetidin-3-yl)-1h-1,2,3-triazole-4-carboxamide hydrochloride

Structural Information

Molecular Formula
C6H9N5O
SMILES
C1C(CN1)N2C=C(N=N2)C(=O)N
InChI
InChI=1S/C6H9N5O/c7-6(12)5-3-11(10-9-5)4-1-8-2-4/h3-4,8H,1-2H2,(H2,7,12)
InChIKey
HCNNYDVZJSVPSE-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0807 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08798 136.2
[M+Na]+ 190.06992 142.3
[M-H]- 166.07342 135.9
[M+NH4]+ 185.11452 145.1
[M+K]+ 206.04386 143.1
[M+H-H2O]+ 150.07796 121.9
[M+HCOO]- 212.07890 153.5
[M+CH3COO]- 226.09455 180.1
[M+Na-2H]- 188.05537 139.5
[M]+ 167.08015 140.3
[M]- 167.08125 140.3
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.