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: 2
Patents: 138.09055 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.097826	125.8
[M+Na]+	161.079768	132.4
[M-H]-	137.083274	125.4
[M+NH4]+	156.124373	136.5
[M+K]+	177.053708	133.2
[M+H-H2O]+	121.087810	112.1
[M+HCOO]-	183.088751	143.5
[M+CH3COO]-	197.104401	173.0
[M+Na-2H]-	159.065216	132.0
[M]+	138.09000142	131.3
[M]-	138.09109858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe