CID 63384839

3-chloro-4,5-dicyclopropyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C8H10ClN3
SMILES
C1CC1C2=NN=C(N2C3CC3)Cl
InChI
InChI=1S/C8H10ClN3/c9-8-11-10-7(5-1-2-5)12(8)6-3-4-6/h5-6H,1-4H2
InChIKey
VEJKCYFZYRHBNX-UHFFFAOYSA-N
Compound name
3-chloro-4,5-dicyclopropyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05632 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06360 122.5
[M+Na]+ 206.04554 136.6
[M+NH4]+ 201.09014 131.2
[M+K]+ 222.01948 135.8
[M-H]- 182.04904 136.6
[M+Na-2H]- 204.03099 134.8
[M]+ 183.05577 130.6
[M]- 183.05687 130.6
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.