CID 124509029

5-(bromomethyl)-1-methyl-1h-1,2,3-triazolehydrobromide

Structural Information

Molecular Formula
C4H6BrN3
SMILES
CN1C(=CN=N1)CBr
InChI
InChI=1S/C4H6BrN3/c1-8-4(2-5)3-6-7-8/h3H,2H2,1H3
InChIKey
FZQBRDGXJRCQJX-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1-methyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.9745 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.98178 124.7
[M+Na]+ 197.96372 138.6
[M-H]- 173.96722 127.8
[M+NH4]+ 193.00832 146.8
[M+K]+ 213.93766 129.0
[M+H-H2O]+ 157.97176 124.0
[M+HCOO]- 219.97270 145.6
[M+CH3COO]- 233.98835 176.9
[M+Na-2H]- 195.94917 133.7
[M]+ 174.97395 144.1
[M]- 174.97505 144.1
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