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]+ 314.26898 181.8
[M+Na]+ 336.25092 181.3
[M-H]- 312.25442 182.9
[M+NH4]+ 331.29552 195.6
[M+K]+ 352.22486 180.8
[M+H-H2O]+ 296.25896 174.8
[M+HCOO]- 358.25990 196.3
[M+CH3COO]- 372.27555 211.9
[M+Na-2H]- 334.23637 179.9
[M]+ 313.26115 181.1
[M]- 313.26225 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.