CID 48091

Acetic acid, 2-allyl-2-cyclohexyl-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride

Structural Information

Molecular Formula
C20H37NO2
SMILES
CCN(CC)CC(C)(C)COC(=O)C(CC=C)C1CCCCC1
InChI
InChI=1S/C20H37NO2/c1-6-12-18(17-13-10-9-11-14-17)19(22)23-16-20(4,5)15-21(7-2)8-3/h6,17-18H,1,7-16H2,2-5H3
InChIKey
KNMVZOQPJSMWPE-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2,2-dimethylpropyl] 2-cyclohexylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.28244 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.28972 184.8
[M+Na]+ 346.27166 190.8
[M+NH4]+ 341.31626 190.5
[M+K]+ 362.24560 185.4
[M-H]- 322.27516 185.1
[M+Na-2H]- 344.25711 186.1
[M]+ 323.28189 185.3
[M]- 323.28299 185.3
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.