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]+ 204.99710 136.0
[M+Na]+ 226.97904 147.3
[M-H]- 202.98254 138.5
[M+NH4]+ 222.02364 157.1
[M+K]+ 242.95298 137.2
[M+H-H2O]+ 186.98708 135.3
[M+HCOO]- 248.98802 155.2
[M+CH3COO]- 263.00367 178.8
[M+Na-2H]- 224.96449 142.7
[M]+ 203.98927 154.1
[M]- 203.99037 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.