CID 121552334

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

Structural Information

Molecular Formula
C6H10BrN3
SMILES
CCN1N=C(C(=N1)CBr)C
InChI
InChI=1S/C6H10BrN3/c1-3-10-8-5(2)6(4-7)9-10/h3-4H2,1-2H3
InChIKey
VNVAMTOAZVACHK-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-ethyl-5-methyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.00581 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01309 133.5
[M+Na]+ 225.99503 147.5
[M-H]- 201.99853 136.7
[M+NH4]+ 221.03963 154.9
[M+K]+ 241.96897 137.3
[M+H-H2O]+ 186.00307 132.7
[M+HCOO]- 248.00401 153.8
[M+CH3COO]- 262.01966 183.5
[M+Na-2H]- 223.98048 140.7
[M]+ 203.00526 153.9
[M]- 203.00636 153.9
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.