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]+ 272.18562 161.1
[M+Na]+ 294.16756 160.4
[M-H]- 270.17106 164.3
[M+NH4]+ 289.21216 173.7
[M+K]+ 310.14150 164.0
[M+H-H2O]+ 254.17560 153.2
[M+HCOO]- 316.17654 172.7
[M+CH3COO]- 330.19219 192.7
[M+Na-2H]- 292.15301 163.3
[M]+ 271.17779 152.6
[M]- 271.17889 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.