CID 16640642

2-(4-bromo-1h-pyrazol-1-yl)ethanol

Structural Information

Molecular Formula
C5H7BrN2O
SMILES
C1=C(C=NN1CCO)Br
InChI
InChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
InChIKey
REUWXYIZJBMWPB-UHFFFAOYSA-N
Compound name
2-(4-bromopyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

189.97418 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.981456 130.2
[M+Na]+ 212.963398 143.1
[M-H]- 188.966904 133.2
[M+NH4]+ 208.008003 152.2
[M+K]+ 228.937338 132.8
[M+H-H2O]+ 172.971440 130.0
[M+HCOO]- 234.972381 150.7
[M+CH3COO]- 248.988031 176.3
[M+Na-2H]- 210.948846 138.0
[M]+ 189.97363142 148.9
[M]- 189.97472858 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe