CID 79317110

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

Structural Information

Molecular Formula
C8H12N4
SMILES
C1CC1N2C=NN=C2C3CNC3
InChI
InChI=1S/C8H12N4/c1-2-7(1)12-5-10-11-8(12)6-3-9-4-6/h5-7,9H,1-4H2
InChIKey
VTJHESLVARMQOL-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)-4-cyclopropyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.1062 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11348 140.7
[M+Na]+ 187.09542 149.5
[M-H]- 163.09892 144.1
[M+NH4]+ 182.14002 146.3
[M+K]+ 203.06936 147.7
[M+H-H2O]+ 147.10346 126.9
[M+HCOO]- 209.10440 158.5
[M+CH3COO]- 223.12005 151.6
[M+Na-2H]- 185.08087 144.7
[M]+ 164.10565 147.7
[M]- 164.10675 147.7
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.