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

13474
Patents

309.26678 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.27406 181.1
[M+Na]+ 332.25600 179.5
[M-H]- 308.25950 185.8
[M+NH4]+ 327.30060 197.0
[M+K]+ 348.22994 178.3
[M+H-H2O]+ 292.26404 172.9
[M+HCOO]- 354.26498 196.1
[M+CH3COO]- 368.28063 210.4
[M+Na-2H]- 330.24145 179.8
[M]+ 309.26623 175.5
[M]- 309.26733 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe