CID 3046852

Cycloheptanecarboxylic acid, 1-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C14H25NO4
SMILES
C1CCCC(CC1)(C(=O)OCCN2CCOCC2)O
InChI
InChI=1S/C14H25NO4/c16-13(14(17)5-3-1-2-4-6-14)19-12-9-15-7-10-18-11-8-15/h17H,1-12H2
InChIKey
VCQSHQVAOLTGLF-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 1-hydroxycycloheptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17834 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 161.1
[M+Na]+ 294.167558 160.4
[M-H]- 270.171064 164.3
[M+NH4]+ 289.212163 173.7
[M+K]+ 310.141498 164.0
[M+H-H2O]+ 254.175600 153.2
[M+HCOO]- 316.176541 172.7
[M+CH3COO]- 330.192191 192.7
[M+Na-2H]- 292.153006 163.3
[M]+ 271.17779142 152.6
[M]- 271.17888858 152.6
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.