CID 61337728

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

Structural Information

Molecular Formula
C8H11N3
SMILES
C1CC1C2=NC(=NN2)C3CC3
InChI
InChI=1S/C8H11N3/c1-2-5(1)7-9-8(11-10-7)6-3-4-6/h5-6H,1-4H2,(H,9,10,11)
InChIKey
MJQMXMPFQBZROO-UHFFFAOYSA-N
Compound name
3,5-dicyclopropyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

149.09529 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 152.4
[M+Na]+ 172.08451 161.4
[M-H]- 148.08801 157.2
[M+NH4]+ 167.12911 159.5
[M+K]+ 188.05845 157.3
[M+H-H2O]+ 132.09255 144.7
[M+HCOO]- 194.09349 170.6
[M+CH3COO]- 208.10914 161.9
[M+Na-2H]- 170.06996 154.6
[M]+ 149.09474 153.4
[M]- 149.09584 153.4
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.