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]+ 270.20638 163.7
[M+Na]+ 292.18832 162.6
[M-H]- 268.19182 166.2
[M+NH4]+ 287.23292 177.6
[M+K]+ 308.16226 164.5
[M+H-H2O]+ 252.19636 155.9
[M+HCOO]- 314.19730 175.6
[M+CH3COO]- 328.21295 193.5
[M+Na-2H]- 290.17377 164.3
[M]+ 269.19855 153.5
[M]- 269.19965 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.