CID 130861369

2402839-19-2

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1C(CC1O)N2C=CC=N2

InChI

InChI=1S/C7H10N2O/c10-7-4-6(5-7)9-3-1-2-8-9/h1-3,6-7,10H,4-5H2

InChIKey

LDMHOTLSUTVSPN-UHFFFAOYSA-N

Compound name

3-pyrazol-1-ylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 138.07932 Da
Monoisotopic Mass: 0.1
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]+	139.086596	123.4
[M+Na]+	161.068538	130.3
[M-H]-	137.072044	126.2
[M+NH4]+	156.113143	137.1
[M+K]+	177.042478	131.5
[M+H-H2O]+	121.076580	111.7
[M+HCOO]-	183.077521	143.7
[M+CH3COO]-	197.093171	173.1
[M+Na-2H]-	159.053986	128.8
[M]+	138.07877142	130.1
[M]-	138.07986858	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe