CID 3048578

4-piperidinol, 1-butyl-4-cyclohexyl-, butyrate, hydrochloride

Structural Information

Molecular Formula
C19H35NO2
SMILES
CCCCN1CCC(CC1)(C2CCCCC2)OC(=O)CCC
InChI
InChI=1S/C19H35NO2/c1-3-5-14-20-15-12-19(13-16-20,22-18(21)9-4-2)17-10-7-6-8-11-17/h17H,3-16H2,1-2H3
InChIKey
VAEIZZDBUGIJNF-UHFFFAOYSA-N
Compound name
(1-butyl-4-cyclohexylpiperidin-4-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.26678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.274056 181.6
[M+Na]+ 332.255998 181.6
[M-H]- 308.259504 183.9
[M+NH4]+ 327.300603 196.2
[M+K]+ 348.229938 179.0
[M+H-H2O]+ 292.264040 172.9
[M+HCOO]- 354.264981 193.8
[M+CH3COO]- 368.280631 205.9
[M+Na-2H]- 330.241446 180.0
[M]+ 309.26623142 176.4
[M]- 309.26732858 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.