CID 24837004

95220-05-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2617 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.268976 181.8
[M+Na]+ 336.250918 181.3
[M-H]- 312.254424 182.9
[M+NH4]+ 331.295523 195.6
[M+K]+ 352.224858 180.8
[M+H-H2O]+ 296.258960 174.8
[M+HCOO]- 358.259901 196.3
[M+CH3COO]- 372.275551 211.9
[M+Na-2H]- 334.236366 179.9
[M]+ 313.26115142 181.1
[M]- 313.26224858 181.1
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.