CID 62395848

1250244-46-2

Structural Information

Molecular Formula
C5H8BrN3
SMILES
CN1C=C(N=N1)CCBr
InChI
InChI=1S/C5H8BrN3/c1-9-4-5(2-3-6)7-8-9/h4H,2-3H2,1H3
InChIKey
NEUXXJVXPNKZDI-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)-1-methyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.99016 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99744 129.2
[M+Na]+ 211.97938 142.8
[M-H]- 187.98288 132.2
[M+NH4]+ 207.02398 150.8
[M+K]+ 227.95332 132.9
[M+H-H2O]+ 171.98742 128.4
[M+HCOO]- 233.98836 149.8
[M+CH3COO]- 248.00401 179.7
[M+Na-2H]- 209.96483 137.7
[M]+ 188.98961 149.0
[M]- 188.99071 149.0
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.