CID 57736379

(1-cyclohexyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

C1CCC(CC1)N2C=C(C=N2)CO

InChI

InChI=1S/C10H16N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h6-7,10,13H,1-5,8H2

InChIKey

IBLLNQHWRBVLKD-UHFFFAOYSA-N

Compound name

(1-cyclohexylpyrazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 180.12627 Da
Monoisotopic Mass: 1.1
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]+	181.13355	141.6
[M+Na]+	203.11549	152.5
[M+NH4]+	198.16009	149.8
[M+K]+	219.08943	148.0
[M-H]-	179.11899	143.6
[M+Na-2H]-	201.10094	147.5
[M]+	180.12572	143.5
[M]-	180.12682	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe