CID 137965864

4-(azetidin-3-yl)-1-benzyl-1h-1,2,3-triazole dihydrochloride

Structural Information

Molecular Formula
C12H14N4
SMILES
C1C(CN1)C2=CN(N=N2)CC3=CC=CC=C3
InChI
InChI=1S/C12H14N4/c1-2-4-10(5-3-1)8-16-9-12(14-15-16)11-6-13-7-11/h1-5,9,11,13H,6-8H2
InChIKey
XCPJRTPCOKWWLE-UHFFFAOYSA-N
Compound name
4-(azetidin-3-yl)-1-benzyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12184 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 144.5
[M+Na]+ 237.111058 151.0
[M-H]- 213.114564 147.1
[M+NH4]+ 232.155663 152.2
[M+K]+ 253.084998 149.4
[M+H-H2O]+ 197.119100 129.4
[M+HCOO]- 259.120041 161.8
[M+CH3COO]- 273.135691 155.1
[M+Na-2H]- 235.096506 149.3
[M]+ 214.12129142 150.0
[M]- 214.12238858 150.0
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.