CID 62329635

4-methyl-1-(pyrrolidin-3-yl)-1h-pyrazole

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CC1=CN(N=C1)C2CCNC2

InChI

InChI=1S/C8H13N3/c1-7-4-10-11(6-7)8-2-3-9-5-8/h4,6,8-9H,2-3,5H2,1H3

InChIKey

NXDPGCYRUPUNMK-UHFFFAOYSA-N

Compound name

4-methyl-1-pyrrolidin-3-ylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 151.11095 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]+	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