CID 62065414

3-(2,4-dimethylphenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC1=CC(=C(C=C1)C2CCNC2)C

InChI

InChI=1S/C12H17N/c1-9-3-4-12(10(2)7-9)11-5-6-13-8-11/h3-4,7,11,13H,5-6,8H2,1-2H3

InChIKey

XYJJNJMGKPBTGD-UHFFFAOYSA-N

Compound name

3-(2,4-dimethylphenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 175.1361 Da
Monoisotopic Mass: 2.4
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]+	176.14338	140.9
[M+Na]+	198.12532	153.5
[M+NH4]+	193.16992	150.4
[M+K]+	214.09926	147.8
[M-H]-	174.12882	144.6
[M+Na-2H]-	196.11077	148.0
[M]+	175.13555	143.7
[M]-	175.13665	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe