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]+ 216.013086 145.4
[M+Na]+ 237.995028 160.8
[M-H]- 213.998534 152.1
[M+NH4]+ 233.039633 161.6
[M+K]+ 253.968968 148.8
[M+H-H2O]+ 198.003070 143.6
[M+HCOO]- 260.004011 165.7
[M+CH3COO]- 274.019661 188.0
[M+Na-2H]- 235.980476 151.5
[M]+ 215.00526142 166.0
[M]- 215.00635858 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.