CID 56850

95008-07-4

Structural Information

Molecular Formula
C21H41NO3
SMILES
CCCCCCC(C(C1CCCCC1)C(=O)OCCN(CC)CC)O
InChI
InChI=1S/C21H41NO3/c1-4-7-8-12-15-19(23)20(18-13-10-9-11-14-18)21(24)25-17-16-22(5-2)6-3/h18-20,23H,4-17H2,1-3H3
InChIKey
UIBMDVBWNCIXCB-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-3-hydroxynonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.30865 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.31593 197.1
[M+Na]+ 378.29787 194.6
[M-H]- 354.30137 197.3
[M+NH4]+ 373.34247 208.9
[M+K]+ 394.27181 193.4
[M+H-H2O]+ 338.30591 188.9
[M+HCOO]- 400.30685 211.1
[M+CH3COO]- 414.32250 221.2
[M+Na-2H]- 376.28332 191.3
[M]+ 355.30810 197.3
[M]- 355.30920 197.3
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.