CID 86767428

(2-butyl-2h-pyrazol-3-yl)-methanol

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CCCCN1C(=CC=N1)CO

InChI

InChI=1S/C8H14N2O/c1-2-3-6-10-8(7-11)4-5-9-10/h4-5,11H,2-3,6-7H2,1H3

InChIKey

KXLLSVQJOWVWIO-UHFFFAOYSA-N

Compound name

(2-butylpyrazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 154.11061 Da
Monoisotopic Mass: 0.6
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]+	155.117886	133.6
[M+Na]+	177.099828	141.9
[M-H]-	153.103334	133.2
[M+NH4]+	172.144433	153.5
[M+K]+	193.073768	140.0
[M+H-H2O]+	137.107870	126.8
[M+HCOO]-	199.108811	155.4
[M+CH3COO]-	213.124461	174.3
[M+Na-2H]-	175.085276	138.7
[M]+	154.11006142	134.8
[M]-	154.11115858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe