CID 3051016

67239-02-5

Structural Information

Molecular Formula
C20H37NO2
SMILES
CCN(CC)CCOC(=O)C(CC1CCCCC1)C2CCCC2
InChI
InChI=1S/C20H37NO2/c1-3-21(4-2)14-15-23-20(22)19(18-12-8-9-13-18)16-17-10-6-5-7-11-17/h17-19H,3-16H2,1-2H3
InChIKey
ZGBGKBCWEOHKID-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-cyclohexyl-2-cyclopentylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.28244 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.28972 187.8
[M+Na]+ 346.27166 185.4
[M-H]- 322.27516 192.5
[M+NH4]+ 341.31626 202.9
[M+K]+ 362.24560 184.0
[M+H-H2O]+ 306.27970 179.3
[M+HCOO]- 368.28064 203.6
[M+CH3COO]- 382.29629 214.3
[M+Na-2H]- 344.25711 182.3
[M]+ 323.28189 183.8
[M]- 323.28299 183.8
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.