CID 115764

29369-00-4

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CCCC1(CCNC1)C2=CC(=CC=C2)O

InChI

InChI=1S/C13H19NO/c1-2-6-13(7-8-14-10-13)11-4-3-5-12(15)9-11/h3-5,9,14-15H,2,6-8,10H2,1H3

InChIKey

ODZIWWCDWKQCTQ-UHFFFAOYSA-N

Compound name

3-(3-propylpyrrolidin-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.14667 Da
Monoisotopic Mass: 2.8
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]+	206.15395	149.1
[M+Na]+	228.13589	160.2
[M+NH4]+	223.18049	158.9
[M+K]+	244.10983	153.2
[M-H]-	204.13939	151.6
[M+Na-2H]-	226.12134	156.6
[M]+	205.14612	151.4
[M]-	205.14722	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe