CID 18675731

5-chloro-3h-spiro[isobenzofuran-1,4'-piperidine] hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄ClNO

SMILES

C1CNCCC12C3=C(CO2)C=C(C=C3)Cl

InChI

InChI=1S/C12H14ClNO/c13-10-1-2-11-9(7-10)8-15-12(11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2

InChIKey

ZUKZVXUSZUGBOH-UHFFFAOYSA-N

Compound name

6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 223.07639 Da
Monoisotopic Mass: 1.7
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]+	224.083666	148.4
[M+Na]+	246.065608	156.3
[M-H]-	222.069114	152.2
[M+NH4]+	241.110213	169.1
[M+K]+	262.039548	151.6
[M+H-H2O]+	206.073650	142.3
[M+HCOO]-	268.074591	160.1
[M+CH3COO]-	282.090241	160.2
[M+Na-2H]-	244.051056	154.1
[M]+	223.07584142	144.6
[M]-	223.07693858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe