CID 66467362

2-benzyl-2-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC1(CCCN1)CC2=CC=CC=C2

InChI

InChI=1S/C12H17N/c1-12(8-5-9-13-12)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3

InChIKey

XQGZBKZGCLUJKN-UHFFFAOYSA-N

Compound name

2-benzyl-2-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 175.1361 Da
Monoisotopic Mass: 2.5
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]+	176.143376	140.6
[M+Na]+	198.125318	146.6
[M-H]-	174.128824	144.1
[M+NH4]+	193.169923	162.2
[M+K]+	214.099258	143.0
[M+H-H2O]+	158.133360	133.9
[M+HCOO]-	220.134301	160.9
[M+CH3COO]-	234.149951	152.9
[M+Na-2H]-	196.110766	145.7
[M]+	175.13555142	135.8
[M]-	175.13664858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe