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]+ 167.11789 136.4
[M+Na]+ 189.09983 143.3
[M-H]- 165.10333 139.0
[M+NH4]+ 184.14443 156.9
[M+K]+ 205.07377 141.3
[M+H-H2O]+ 149.10787 129.0
[M+HCOO]- 211.10881 157.2
[M+CH3COO]- 225.12446 174.0
[M+Na-2H]- 187.08528 138.6
[M]+ 166.11006 133.4
[M]- 166.11116 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.