CID 10517933

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

Structural Information

Molecular Formula
C4H6BrN3O
SMILES
COCN1N=CC(=N1)Br
InChI
InChI=1S/C4H6BrN3O/c1-9-3-8-6-2-4(5)7-8/h2H,3H2,1H3
InChIKey
NGIDDSFQHKIBGP-UHFFFAOYSA-N
Compound name
4-bromo-2-(methoxymethyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.96942 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97670 127.1
[M+Na]+ 213.95864 140.9
[M-H]- 189.96214 130.2
[M+NH4]+ 209.00324 148.6
[M+K]+ 229.93258 131.7
[M+H-H2O]+ 173.96668 126.3
[M+HCOO]- 235.96762 148.2
[M+CH3COO]- 249.98327 178.7
[M+Na-2H]- 211.94409 136.1
[M]+ 190.96887 147.8
[M]- 190.96997 147.8
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.