CID 21788

Dihexyverine

Structural Information

Molecular Formula

C₂₀H₃₅NO₂

SMILES

C1CCC(CC1)C2(CCCCC2)C(=O)OCCN3CCCCC3

InChI

InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2

InChIKey

MNSQDVCVWNXBFQ-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 946
Patents: 321.26678 Da
Monoisotopic Mass: 5.6
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]+	322.274056	185.0
[M+Na]+	344.255998	181.7
[M-H]-	320.259504	189.0
[M+NH4]+	339.300603	197.7
[M+K]+	360.229938	178.8
[M+H-H2O]+	304.264040	174.5
[M+HCOO]-	366.264981	193.7
[M+CH3COO]-	380.280631	204.9
[M+Na-2H]-	342.241446	182.5
[M]+	321.26623142	172.5
[M]-	321.26732858	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe