CID 167717097

3-bromo-2-(1h-pyrazol-1-yl)propan-1-ol

Structural Information

Molecular Formula
C6H9BrN2O
SMILES
C1=CN(N=C1)C(CO)CBr
InChI
InChI=1S/C6H9BrN2O/c7-4-6(5-10)9-3-1-2-8-9/h1-3,6,10H,4-5H2
InChIKey
NHSSEQBZECNGAL-UHFFFAOYSA-N
Compound name
3-bromo-2-pyrazol-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.98982 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.997096 136.0
[M+Na]+ 226.979038 147.3
[M-H]- 202.982544 138.5
[M+NH4]+ 222.023643 157.1
[M+K]+ 242.952978 137.2
[M+H-H2O]+ 186.987080 135.3
[M+HCOO]- 248.988021 155.2
[M+CH3COO]- 263.003671 178.8
[M+Na-2H]- 224.964486 142.7
[M]+ 203.98927142 154.1
[M]- 203.99036858 154.1
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

No patent data available for this compound.