CID 23005683

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

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC(C)N1C=C(C=N1)CO

InChI

InChI=1S/C7H12N2O/c1-6(2)9-4-7(5-10)3-8-9/h3-4,6,10H,5H2,1-2H3

InChIKey

CZKNSLLDUNVBJQ-UHFFFAOYSA-N

Compound name

(1-propan-2-ylpyrazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 140.09496 Da
Monoisotopic Mass: 0.0
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]+	141.10224	129.5
[M+Na]+	163.08418	138.0
[M-H]-	139.08768	129.4
[M+NH4]+	158.12878	149.8
[M+K]+	179.05812	136.8
[M+H-H2O]+	123.09222	123.0
[M+HCOO]-	185.09316	150.6
[M+CH3COO]-	199.10881	172.1
[M+Na-2H]-	161.06963	133.9
[M]+	140.09441	129.7
[M]-	140.09551	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe