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: 10
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]+	181.133546	140.8
[M+Na]+	203.115488	146.4
[M-H]-	179.118994	142.7
[M+NH4]+	198.160093	158.9
[M+K]+	219.089428	143.8
[M+H-H2O]+	163.123530	132.8
[M+HCOO]-	225.124471	159.0
[M+CH3COO]-	239.140121	176.9
[M+Na-2H]-	201.100936	144.1
[M]+	180.12572142	135.9
[M]-	180.12681858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe