CID 24837213

95806-31-8

Structural Information

Molecular Formula
C22H41NO3
SMILES
CCN(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCCCC2)O
InChI
InChI=1S/C22H41NO3/c1-3-23(4-2)17-18-26-21(24)20(19-13-9-8-10-14-19)22(25)15-11-6-5-7-12-16-22/h19-20,25H,3-18H2,1-2H3
InChIKey
XOCNJIVDQRYIPJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-2-(1-hydroxycyclooctyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.30865 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.31593 179.1
[M+Na]+ 390.29787 180.6
[M+NH4]+ 385.34247 181.3
[M+K]+ 406.27181 178.5
[M-H]- 366.30137 179.7
[M+Na-2H]- 388.28332 180.0
[M]+ 367.30810 179.3
[M]- 367.30920 179.3
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.