CID 3042

Dicyclomine

Structural Information

Molecular Formula

C₁₉H₃₅NO₂

SMILES

CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2

InChI

InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3

InChIKey

CURUTKGFNZGFSE-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 482
References: 12652
Patents: 309.26678 Da
Monoisotopic Mass: 5.5
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]+	310.27406	181.7
[M+Na]+	332.25600	188.8
[M+NH4]+	327.30060	190.8
[M+K]+	348.22994	180.1
[M-H]-	308.25950	185.5
[M+Na-2H]-	330.24145	186.7
[M]+	309.26623	183.6
[M]-	309.26733	183.6

Literature stripe

literature stripe

Patent stripe

patents stripe