CID 24836996

95220-03-4

Structural Information

Molecular Formula
C18H35NO3
SMILES
CCCC(C(C1CCCCC1)C(=O)OCCN(CC)CC)O
InChI
InChI=1S/C18H35NO3/c1-4-10-16(20)17(15-11-8-7-9-12-15)18(21)22-14-13-19(5-2)6-3/h15-17,20H,4-14H2,1-3H3
InChIKey
ULMFKVDZQWTJES-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyl-3-hydroxyhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2617 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.26898 183.6
[M+Na]+ 336.25092 182.4
[M-H]- 312.25442 184.4
[M+NH4]+ 331.29552 197.2
[M+K]+ 352.22486 181.9
[M+H-H2O]+ 296.25896 176.0
[M+HCOO]- 358.25990 198.6
[M+CH3COO]- 372.27555 212.4
[M+Na-2H]- 334.23637 179.4
[M]+ 313.26115 182.7
[M]- 313.26225 182.7
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.