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]+ 168.087976 136.2
[M+Na]+ 190.069918 142.3
[M-H]- 166.073424 135.9
[M+NH4]+ 185.114523 145.1
[M+K]+ 206.043858 143.1
[M+H-H2O]+ 150.077960 121.9
[M+HCOO]- 212.078901 153.5
[M+CH3COO]- 226.094551 180.1
[M+Na-2H]- 188.055366 139.5
[M]+ 167.08015142 140.3
[M]- 167.08124858 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.