CID 25248267

1-methyl-4-(pyrrolidin-2-yl)-1h-pyrazole

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CN1C=C(C=N1)C2CCCN2

InChI

InChI=1S/C8H13N3/c1-11-6-7(5-10-11)8-3-2-4-9-8/h5-6,8-9H,2-4H2,1H3

InChIKey

VRQSNISBSWLYIN-UHFFFAOYSA-N

Compound name

1-methyl-4-pyrrolidin-2-ylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 151.11095 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]+	152.11823	133.6
[M+Na]+	174.10017	144.0
[M+NH4]+	169.14477	141.6
[M+K]+	190.07411	142.0
[M-H]-	150.10367	134.6
[M+Na-2H]-	172.08562	139.1
[M]+	151.11040	135.0
[M]-	151.11150	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe