CID 622669

21279-77-6

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCl

InChI

InChI=1S/C14H21ClN2O/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,7-12H2,1H3

InChIKey

OIZBMQFOSPOOIS-UHFFFAOYSA-N

Compound name

1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 268.13425 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]+	269.14153	162.8
[M+Na]+	291.12347	168.7
[M-H]-	267.12697	165.3
[M+NH4]+	286.16807	177.1
[M+K]+	307.09741	163.9
[M+H-H2O]+	251.13151	153.8
[M+HCOO]-	313.13245	175.6
[M+CH3COO]-	327.14810	196.4
[M+Na-2H]-	289.10892	165.8
[M]+	268.13370	162.6
[M]-	268.13480	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe