CID 11551397

Hexyloxodecanamide mea

Structural Information

Molecular Formula
C18H35NO3
SMILES
CCCCCCCC(=O)C(CCCCCC)C(=O)NCCO
InChI
InChI=1S/C18H35NO3/c1-3-5-7-9-11-13-17(21)16(12-10-8-6-4-2)18(22)19-14-15-20/h16,20H,3-15H2,1-2H3,(H,19,22)
InChIKey
OKPVDVORYUWJHI-UHFFFAOYSA-N
Compound name
2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

313.2617 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.26898 185.7
[M+Na]+ 336.25092 186.5
[M-H]- 312.25442 182.5
[M+NH4]+ 331.29552 199.2
[M+K]+ 352.22486 183.9
[M+H-H2O]+ 296.25896 178.7
[M+HCOO]- 358.25990 203.2
[M+CH3COO]- 372.27555 211.5
[M+Na-2H]- 334.23637 182.3
[M]+ 313.26115 189.7
[M]- 313.26225 189.7
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

patents stripe