CID 216016

37012-00-3

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

C1CC1C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C14H18N2O/c17-14(12-6-7-12)16-10-8-15(9-11-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2

InChIKey

UMZDCPNRJWGFBR-UHFFFAOYSA-N

Compound name

cyclopropyl-(4-phenylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 230.1419 Da
Monoisotopic Mass: 1.8
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]+	231.14918	156.9
[M+Na]+	253.13112	170.9
[M+NH4]+	248.17572	165.8
[M+K]+	269.10506	165.1
[M-H]-	229.13462	168.0
[M+Na-2H]-	251.11657	167.2
[M]+	230.14135	163.1
[M]-	230.14245	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe