CID 91641330

1803585-79-6

Structural Information

Molecular Formula
C4H6BrN3O
SMILES
C1=NC(=NN1CCO)Br
InChI
InChI=1S/C4H6BrN3O/c5-4-6-3-8(7-4)1-2-9/h3,9H,1-2H2
InChIKey
ZEPXNJVUSUIGPD-UHFFFAOYSA-N
Compound name
2-(3-bromo-1,2,4-triazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.96942 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97670 128.3
[M+Na]+ 213.95864 141.6
[M-H]- 189.96214 130.1
[M+NH4]+ 209.00324 149.0
[M+K]+ 229.93258 131.5
[M+H-H2O]+ 173.96668 127.5
[M+HCOO]- 235.96762 147.9
[M+CH3COO]- 249.98327 176.2
[M+Na-2H]- 211.94409 136.7
[M]+ 190.96887 147.2
[M]- 190.96997 147.2
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.