CID 53621252

1333757-63-3

Structural Information

Molecular Formula

C₁₀H₁₇N₃

SMILES

CC1=CC(=NN1CC2CCCN2)C

InChI

InChI=1S/C10H17N3/c1-8-6-9(2)13(12-8)7-10-4-3-5-11-10/h6,10-11H,3-5,7H2,1-2H3

InChIKey

ZIPVDZPXJYBWLK-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1-(pyrrolidin-2-ylmethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.14224 Da
Monoisotopic Mass: 1.1
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]+	180.149516	142.2
[M+Na]+	202.131458	149.7
[M-H]-	178.134964	143.6
[M+NH4]+	197.176063	161.2
[M+K]+	218.105398	146.9
[M+H-H2O]+	162.139500	134.0
[M+HCOO]-	224.140441	161.1
[M+CH3COO]-	238.156091	154.2
[M+Na-2H]-	200.116906	142.9
[M]+	179.14169142	139.0
[M]-	179.14278858	139.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.