CID 79316814

3-(azetidin-3-yl)-5-methyl-1h-1,2,4-triazole dihydrochloride

Structural Information

Molecular Formula
C6H10N4
SMILES
CC1=NC(=NN1)C2CNC2
InChI
InChI=1S/C6H10N4/c1-4-8-6(10-9-4)5-2-7-3-5/h5,7H,2-3H2,1H3,(H,8,9,10)
InChIKey
YMZJZOHRUAGUGH-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)-5-methyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.09055 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 128.6
[M+Na]+ 161.07977 135.7
[M-H]- 137.08327 127.3
[M+NH4]+ 156.12437 138.9
[M+K]+ 177.05371 135.5
[M+H-H2O]+ 121.08781 115.4
[M+HCOO]- 183.08875 144.8
[M+CH3COO]- 197.10440 171.6
[M+Na-2H]- 159.06522 133.4
[M]+ 138.09000 132.6
[M]- 138.09110 132.6
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.