CID 75525661

1-(cyclopropylmethyl)-1h-pyrazol-4-ol

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CC1CN2C=C(C=N2)O

InChI

InChI=1S/C7H10N2O/c10-7-3-8-9(5-7)4-6-1-2-6/h3,5-6,10H,1-2,4H2

InChIKey

FPZVLZXWWNYGDS-UHFFFAOYSA-N

Compound name

1-(cyclopropylmethyl)pyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 138.07932 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]+	139.08660	131.1
[M+Na]+	161.06854	141.8
[M-H]-	137.07204	135.0
[M+NH4]+	156.11314	146.6
[M+K]+	177.04248	138.3
[M+H-H2O]+	121.07658	123.9
[M+HCOO]-	183.07752	153.6
[M+CH3COO]-	197.09317	173.6
[M+Na-2H]-	159.05399	136.8
[M]+	138.07877	132.9
[M]-	138.07987	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe