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]+ 150.102566 152.4
[M+Na]+ 172.084508 161.4
[M-H]- 148.088014 157.2
[M+NH4]+ 167.129113 159.5
[M+K]+ 188.058448 157.3
[M+H-H2O]+ 132.092550 144.7
[M+HCOO]- 194.093491 170.6
[M+CH3COO]- 208.109141 161.9
[M+Na-2H]- 170.069956 154.6
[M]+ 149.09474142 153.4
[M]- 149.09583858 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

patents stripe