CID 3054357

71157-72-7

Structural Information

Molecular Formula

C₁₃H₁₈ClNO

SMILES

CN1CCCC1CC(C2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C13H18ClNO/c1-15-7-3-6-12(15)9-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12-13,16H,3,6-7,9H2,1H3

InChIKey

FHVGAPRZWDAMCO-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 239.1077 Da
Monoisotopic Mass: 2.6
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]+	240.114976	155.3
[M+Na]+	262.096918	162.1
[M-H]-	238.100424	158.8
[M+NH4]+	257.141523	173.6
[M+K]+	278.070858	157.2
[M+H-H2O]+	222.104960	148.8
[M+HCOO]-	284.105901	169.7
[M+CH3COO]-	298.121551	188.5
[M+Na-2H]-	260.082366	155.7
[M]+	239.10715142	154.2
[M]-	239.10824858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe