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 164.5
[M+Na]+ 292.18832 164.2
[M-H]- 268.19182 167.4
[M+NH4]+ 287.23292 180.2
[M+K]+ 308.16226 165.3
[M+H-H2O]+ 252.19636 156.8
[M+HCOO]- 314.19730 178.4
[M+CH3COO]- 328.21295 193.0
[M+Na-2H]- 290.17377 163.7
[M]+ 269.19855 156.2
[M]- 269.19965 156.2
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.