CID 3046854

Cycloheptanecarboxylic acid, 1-hydroxy-, 3-(1-pyrrolidinyl)propyl ester, hydrochloride

Structural Information

Molecular Formula
C15H27NO3
SMILES
C1CCCC(CC1)(C(=O)OCCCN2CCCC2)O
InChI
InChI=1S/C15H27NO3/c17-14(15(18)8-3-1-2-4-9-15)19-13-7-12-16-10-5-6-11-16/h18H,1-13H2
InChIKey
QXLBWIANXGBPFK-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropyl 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 164.2
[M+Na]+ 292.18832 169.1
[M+NH4]+ 287.23292 171.2
[M+K]+ 308.16226 165.6
[M-H]- 268.19182 164.6
[M+Na-2H]- 290.17377 167.8
[M]+ 269.19855 164.7
[M]- 269.19965 164.7
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.