CID 21098616

3-methyl-3-phenylpyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1(CCNC1)C2=CC=CC=C2

InChI

InChI=1S/C11H15N/c1-11(7-8-12-9-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3

InChIKey

FITWJEPAVCOKSH-UHFFFAOYSA-N

Compound name

3-methyl-3-phenylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 161.12045 Da
Monoisotopic Mass: 2.2
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]+	162.12773	137.3
[M+Na]+	184.10967	149.4
[M+NH4]+	179.15427	148.4
[M+K]+	200.08361	141.9
[M-H]-	160.11317	140.9
[M+Na-2H]-	182.09512	146.5
[M]+	161.11990	140.1
[M]-	161.12100	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe