CID 19616529

3-(4-chloro-1h-pyrazol-1-yl)propan-1-ol

Structural Information

Molecular Formula
C6H9ClN2O
SMILES
C1=C(C=NN1CCCO)Cl
InChI
InChI=1S/C6H9ClN2O/c7-6-4-8-9(5-6)2-1-3-10/h4-5,10H,1-3H2
InChIKey
PGMOLCILTNICAC-UHFFFAOYSA-N
Compound name
3-(4-chloropyrazol-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.04034 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04762 130.5
[M+Na]+ 183.02956 140.2
[M-H]- 159.03306 130.0
[M+NH4]+ 178.07416 150.8
[M+K]+ 199.00350 136.9
[M+H-H2O]+ 143.03760 124.4
[M+HCOO]- 205.03854 148.1
[M+CH3COO]- 219.05419 172.1
[M+Na-2H]- 181.01501 136.1
[M]+ 160.03979 132.5
[M]- 160.04089 132.5
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.