CID 3051395

67465-12-7

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1CC(CN1)(C2=CC=CC=C2)O

InChI

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

InChIKey

WDUGJEKIHPMTOH-UHFFFAOYSA-N

Compound name

5-methyl-3-phenylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	178.12265	140.2
[M+Na]+	200.10459	151.6
[M+NH4]+	195.14919	150.3
[M+K]+	216.07853	145.1
[M-H]-	176.10809	142.7
[M+Na-2H]-	198.09004	148.2
[M]+	177.11482	142.5
[M]-	177.11592	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe