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]+ 270.206376 164.5
[M+Na]+ 292.188318 164.2
[M-H]- 268.191824 167.4
[M+NH4]+ 287.232923 180.2
[M+K]+ 308.162258 165.3
[M+H-H2O]+ 252.196360 156.8
[M+HCOO]- 314.197301 178.4
[M+CH3COO]- 328.212951 193.0
[M+Na-2H]- 290.173766 163.7
[M]+ 269.19855142 156.2
[M]- 269.19964858 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.