CID 3046848

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

Structural Information

Molecular Formula
C14H27NO3
SMILES
CCN(CC)CCOC(=O)C1(CCCCCC1)O
InChI
InChI=1S/C14H27NO3/c1-3-15(4-2)11-12-18-13(16)14(17)9-7-5-6-8-10-14/h17H,3-12H2,1-2H3
InChIKey
SHVWLHWNYSFGGD-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1991 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.20638 158.2
[M+Na]+ 280.18832 158.4
[M-H]- 256.19182 161.2
[M+NH4]+ 275.23292 174.9
[M+K]+ 296.16226 162.5
[M+H-H2O]+ 240.19636 152.4
[M+HCOO]- 302.19730 175.9
[M+CH3COO]- 316.21295 199.0
[M+Na-2H]- 278.17377 159.8
[M]+ 257.19855 154.2
[M]- 257.19965 154.2
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.