CID 62669318

1248787-82-7

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CN1C=C(C=N1)C2(CC2)O

InChI

InChI=1S/C7H10N2O/c1-9-5-6(4-8-9)7(10)2-3-7/h4-5,10H,2-3H2,1H3

InChIKey

ZQHVZWHSVSZMFB-UHFFFAOYSA-N

Compound name

1-(1-methylpyrazol-4-yl)cyclopropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 138.07932 Da
Monoisotopic Mass: -0.3
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	131.3
[M+Na]+	161.068538	142.7
[M-H]-	137.072044	135.6
[M+NH4]+	156.113143	148.6
[M+K]+	177.042478	140.1
[M+H-H2O]+	121.076580	125.2
[M+HCOO]-	183.077521	153.4
[M+CH3COO]-	197.093171	173.2
[M+Na-2H]-	159.053986	138.0
[M]+	138.07877142	133.5
[M]-	138.07986858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe