CID 6377098

Morpholine, 4-(3-carboxy-4,4,6,8-tetramethyl-5-undecenoyl)-

Structural Information

Molecular Formula
C20H35NO4
SMILES
CCCC(C)C/C(=C/C(C)(C)C(CC(=O)N1CCOCC1)C(=O)O)/C
InChI
InChI=1S/C20H35NO4/c1-6-7-15(2)12-16(3)14-20(4,5)17(19(23)24)13-18(22)21-8-10-25-11-9-21/h14-15,17H,6-13H2,1-5H3,(H,23,24)/b16-14+
InChIKey
OGPCZJZOVAKMLD-JQIJEIRASA-N
Compound name
(E)-3,3,5,7-tetramethyl-2-(2-morpholin-4-yl-2-oxoethyl)dec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.25662 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.263896 190.2
[M+Na]+ 376.245838 189.7
[M-H]- 352.249344 189.2
[M+NH4]+ 371.290443 199.2
[M+K]+ 392.219778 189.1
[M+H-H2O]+ 336.253880 183.1
[M+HCOO]- 398.254821 198.1
[M+CH3COO]- 412.270471 214.6
[M+Na-2H]- 374.231286 185.6
[M]+ 353.25607142 189.1
[M]- 353.25716858 189.1
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.