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]+ 368.315926 181.8
[M+Na]+ 390.297868 182.1
[M-H]- 366.301374 183.3
[M+NH4]+ 385.342473 187.5
[M+K]+ 406.271808 182.3
[M+H-H2O]+ 350.305910 177.0
[M+HCOO]- 412.306851 186.7
[M+CH3COO]- 426.322501 237.8
[M+Na-2H]- 388.283316 177.2
[M]+ 367.30810142 178.6
[M]- 367.30919858 178.6
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.