CID 3021989

67465-11-6

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1C(CCN1)(C2=CC=CC=C2)O

InChI

InChI=1S/C11H15NO/c1-9-11(13,7-8-12-9)10-5-3-2-4-6-10/h2-6,9,12-13H,7-8H2,1H3

InChIKey

KYSHNBSPVIORLR-UHFFFAOYSA-N

Compound name

2-methyl-3-phenylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 177.11537 Da
Monoisotopic Mass: 1.0
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]+	178.122646	139.5
[M+Na]+	200.104588	146.4
[M-H]-	176.108094	142.2
[M+NH4]+	195.149193	160.6
[M+K]+	216.078528	142.6
[M+H-H2O]+	160.112630	133.5
[M+HCOO]-	222.113571	158.9
[M+CH3COO]-	236.129221	173.7
[M+Na-2H]-	198.090036	144.1
[M]+	177.11482142	134.4
[M]-	177.11591858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe