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]+ 215.12912 144.5
[M+Na]+ 237.11106 151.0
[M-H]- 213.11456 147.1
[M+NH4]+ 232.15566 152.2
[M+K]+ 253.08500 149.4
[M+H-H2O]+ 197.11910 129.4
[M+HCOO]- 259.12004 161.8
[M+CH3COO]- 273.13569 155.1
[M+Na-2H]- 235.09651 149.3
[M]+ 214.12129 150.0
[M]- 214.12239 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.