CID 125456525

4-bromo-2-(2-methoxyethyl)-2h-1,2,3-triazole

Structural Information

Molecular Formula
C5H8BrN3O
SMILES
COCCN1N=CC(=N1)Br
InChI
InChI=1S/C5H8BrN3O/c1-10-3-2-9-7-4-5(6)8-9/h4H,2-3H2,1H3
InChIKey
KGIAKRDRCQTBOE-UHFFFAOYSA-N
Compound name
4-bromo-2-(2-methoxyethyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.98508 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.99236 131.7
[M+Na]+ 227.97430 145.0
[M-H]- 203.97780 134.6
[M+NH4]+ 223.01890 152.6
[M+K]+ 243.94824 135.6
[M+H-H2O]+ 187.98234 130.6
[M+HCOO]- 249.98328 152.5
[M+CH3COO]- 263.99893 181.5
[M+Na-2H]- 225.95975 140.1
[M]+ 204.98453 152.7
[M]- 204.98563 152.7
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.