CID 165941872

3-(bromomethyl)-5-cyclopropyl-1-methyl-1h-1,2,4-triazole hydrobromide

Structural Information

Molecular Formula
C7H10BrN3
SMILES
CN1C(=NC(=N1)CBr)C2CC2
InChI
InChI=1S/C7H10BrN3/c1-11-7(5-2-3-5)9-6(4-8)10-11/h5H,2-4H2,1H3
InChIKey
QBCWZNHHTTUNMP-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-cyclopropyl-1-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00581 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01309 145.4
[M+Na]+ 237.99503 160.8
[M-H]- 213.99853 152.1
[M+NH4]+ 233.03963 161.6
[M+K]+ 253.96897 148.8
[M+H-H2O]+ 198.00307 143.6
[M+HCOO]- 260.00401 165.7
[M+CH3COO]- 274.01966 188.0
[M+Na-2H]- 235.98048 151.5
[M]+ 215.00526 166.0
[M]- 215.00636 166.0
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.