CID 3057982

1-(1-p-tolylbutyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₃N

SMILES

CCCC(C1=CC=C(C=C1)C)N2CCCC2

InChI

InChI=1S/C15H23N/c1-3-6-15(16-11-4-5-12-16)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3

InChIKey

ZHOMQXZTRNCOPV-UHFFFAOYSA-N

Compound name

1-[1-(4-methylphenyl)butyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.18304 Da
Monoisotopic Mass: 3.9
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]+	218.190316	154.1
[M+Na]+	240.172258	158.8
[M-H]-	216.175764	158.5
[M+NH4]+	235.216863	172.8
[M+K]+	256.146198	155.7
[M+H-H2O]+	200.180300	146.3
[M+HCOO]-	262.181241	173.7
[M+CH3COO]-	276.196891	190.3
[M+Na-2H]-	238.157706	155.0
[M]+	217.18249142	151.7
[M]-	217.18358858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe