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]+ 161.047616 130.5
[M+Na]+ 183.029558 140.2
[M-H]- 159.033064 130.0
[M+NH4]+ 178.074163 150.8
[M+K]+ 199.003498 136.9
[M+H-H2O]+ 143.037600 124.4
[M+HCOO]- 205.038541 148.1
[M+CH3COO]- 219.054191 172.1
[M+Na-2H]- 181.015006 136.1
[M]+ 160.03979142 132.5
[M]- 160.04088858 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.