CID 3046846

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

Structural Information

Molecular Formula
C14H25NO3
SMILES
C1CCCC(CC1)(C(=O)OCCN2CCCC2)O
InChI
InChI=1S/C14H25NO3/c16-13(14(17)7-3-1-2-4-8-14)18-12-11-15-9-5-6-10-15/h17H,1-12H2
InChIKey
VIQYAFLZFGNJIO-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 160.3
[M+Na]+ 278.172658 160.4
[M-H]- 254.176164 163.4
[M+NH4]+ 273.217263 176.5
[M+K]+ 294.146598 161.8
[M+H-H2O]+ 238.180700 152.8
[M+HCOO]- 300.181641 174.5
[M+CH3COO]- 314.197291 190.2
[M+Na-2H]- 276.158106 160.0
[M]+ 255.18289142 151.7
[M]- 255.18398858 151.7
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.