CID 66440409

(5-ethyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CCC1=C(C=NN1)CO

InChI

InChI=1S/C6H10N2O/c1-2-6-5(4-9)3-7-8-6/h3,9H,2,4H2,1H3,(H,7,8)

InChIKey

MROPTDZYIJISTR-UHFFFAOYSA-N

Compound name

(5-ethyl-1H-pyrazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 126.079315 Da
Monoisotopic Mass: 0.2
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]+	127.08659	125.5
[M+Na]+	149.06853	136.4
[M+NH4]+	144.11314	132.9
[M+K]+	165.04247	133.1
[M-H]-	125.07204	124.8
[M+Na-2H]-	147.05398	130.3
[M]+	126.07877	126.5
[M]-	126.07986	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe