CID 75356201

1461705-21-4

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 135.4
[M+Na]+ 190.06992 140.1
[M+NH4]+ 185.11452 137.0
[M+K]+ 206.04386 140.6
[M-H]- 166.07342 131.9
[M+Na-2H]- 188.05537 137.2
[M]+ 167.08015 133.3
[M]- 167.08125 133.3
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.