CID 50896700

(1-cyclopentyl-1h-pyrazol-3-yl)methanol

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1CCC(C1)N2C=CC(=N2)CO
InChI
InChI=1S/C9H14N2O/c12-7-8-5-6-11(10-8)9-3-1-2-4-9/h5-6,9,12H,1-4,7H2
InChIKey
JRHLPBZLJUHMAZ-UHFFFAOYSA-N
Compound name
(1-cyclopentylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 136.4
[M+Na]+ 189.099828 143.3
[M-H]- 165.103334 139.0
[M+NH4]+ 184.144433 156.9
[M+K]+ 205.073768 141.3
[M+H-H2O]+ 149.107870 129.0
[M+HCOO]- 211.108811 157.2
[M+CH3COO]- 225.124461 174.0
[M+Na-2H]- 187.085276 138.6
[M]+ 166.11006142 133.4
[M]- 166.11115858 133.4
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.