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]+ 258.206376 158.2
[M+Na]+ 280.188318 158.4
[M-H]- 256.191824 161.2
[M+NH4]+ 275.232923 174.9
[M+K]+ 296.162258 162.5
[M+H-H2O]+ 240.196360 152.4
[M+HCOO]- 302.197301 175.9
[M+CH3COO]- 316.212951 199.0
[M+Na-2H]- 278.173766 159.8
[M]+ 257.19855142 154.2
[M]- 257.19964858 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.