CID 82410363

1894901-06-4

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1=CC=CC=C1C2C(CCN2)O

InChI

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

InChIKey

YSQNCOYDFIZQNN-UHFFFAOYSA-N

Compound name

2-(2-methylphenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.11537 Da
Monoisotopic Mass: 1.2
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]+	178.12265	140.1
[M+Na]+	200.10459	151.8
[M+NH4]+	195.14919	148.7
[M+K]+	216.07853	147.2
[M-H]-	176.10809	142.7
[M+Na-2H]-	198.09004	146.3
[M]+	177.11482	142.3
[M]-	177.11592	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.