CID 45791129

1177347-39-5

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

CC1=CC(=NN1C2CCNC2)C

InChI

InChI=1S/C9H15N3/c1-7-5-8(2)12(11-7)9-3-4-10-6-9/h5,9-10H,3-4,6H2,1-2H3

InChIKey

QIHBXSYHLABMSM-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1-pyrrolidin-3-ylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 165.1266 Da
Monoisotopic Mass: 0.7
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]+	166.13388	137.8
[M+Na]+	188.11582	148.4
[M+NH4]+	183.16042	145.7
[M+K]+	204.08976	146.4
[M-H]-	164.11932	138.9
[M+Na-2H]-	186.10127	142.8
[M]+	165.12605	139.3
[M]-	165.12715	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe