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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.04762	130.0
[M+Na]+	183.02956	142.2
[M+NH4]+	178.07416	138.0
[M+K]+	199.00350	137.8
[M-H]-	159.03306	129.8
[M+Na-2H]-	181.01501	135.5
[M]+	160.03979	131.8
[M]-	160.04089	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.