CID 3046850

Cycloheptanecarboxylic acid, 1-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C15H27NO3
SMILES
C1CCCC(CC1)(C(=O)OCCN2CCCCC2)O
InChI
InChI=1S/C15H27NO3/c17-14(15(18)8-4-1-2-5-9-15)19-13-12-16-10-6-3-7-11-16/h18H,1-13H2
InChIKey
XDFUSWLKZCSBTE-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1991 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.206376 163.7
[M+Na]+ 292.188318 162.6
[M-H]- 268.191824 166.2
[M+NH4]+ 287.232923 177.6
[M+K]+ 308.162258 164.5
[M+H-H2O]+ 252.196360 155.9
[M+HCOO]- 314.197301 175.6
[M+CH3COO]- 328.212951 193.5
[M+Na-2H]- 290.173766 164.3
[M]+ 269.19855142 153.5
[M]- 269.19964858 153.5
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.