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

8
Annotation Hits: 482
References: 15001
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]+	310.274056	181.1
[M+Na]+	332.255998	179.5
[M-H]-	308.259504	185.8
[M+NH4]+	327.300603	197.0
[M+K]+	348.229938	178.3
[M+H-H2O]+	292.264040	172.9
[M+HCOO]-	354.264981	196.1
[M+CH3COO]-	368.280631	210.4
[M+Na-2H]-	330.241446	179.8
[M]+	309.26623142	175.5
[M]-	309.26732858	175.5

Literature stripe

literature stripe

Patent stripe

patents stripe