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]+ 314.268976 183.6
[M+Na]+ 336.250918 182.4
[M-H]- 312.254424 184.4
[M+NH4]+ 331.295523 197.2
[M+K]+ 352.224858 181.9
[M+H-H2O]+ 296.258960 176.0
[M+HCOO]- 358.259901 198.6
[M+CH3COO]- 372.275551 212.4
[M+Na-2H]- 334.236366 179.4
[M]+ 313.26115142 182.7
[M]- 313.26224858 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.