CID 86262226

1-[(azetidin-3-yl)methyl]-1h-1,2,3-triazole dihydrochloride

Structural Information

Molecular Formula
C6H10N4
SMILES
C1C(CN1)CN2C=CN=N2
InChI
InChI=1S/C6H10N4/c1-2-10(9-8-1)5-6-3-7-4-6/h1-2,6-7H,3-5H2
InChIKey
RIZHHAAWDMVDGI-UHFFFAOYSA-N
Compound name
1-(azetidin-3-ylmethyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.09055 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 125.8
[M+Na]+ 161.07977 132.4
[M-H]- 137.08327 125.4
[M+NH4]+ 156.12437 136.5
[M+K]+ 177.05371 133.2
[M+H-H2O]+ 121.08781 112.1
[M+HCOO]- 183.08875 143.5
[M+CH3COO]- 197.10440 173.0
[M+Na-2H]- 159.06522 132.0
[M]+ 138.09000 131.3
[M]- 138.09110 131.3
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.