CID 89326

N-1159 hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₈ClNO

SMILES

CN1C2CCC1CC(C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H18ClNO/c1-16-11-4-5-12(16)9-14(8-11)17-13-6-2-10(15)3-7-13/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3

InChIKey

XCRRAPDJJAEYAZ-UHFFFAOYSA-N

Compound name

3-(4-chlorophenoxy)-8-methyl-8-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 251.1077 Da
Monoisotopic Mass: 3.7
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]+	252.114976	158.0
[M+Na]+	274.096918	165.7
[M-H]-	250.100424	162.0
[M+NH4]+	269.141523	178.2
[M+K]+	290.070858	160.5
[M+H-H2O]+	234.104960	151.3
[M+HCOO]-	296.105901	171.2
[M+CH3COO]-	310.121551	169.6
[M+Na-2H]-	272.082366	160.4
[M]+	251.10715142	157.8
[M]-	251.10824858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe