CID 6377098

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

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]+ 354.26390 190.2
[M+Na]+ 376.24584 189.7
[M-H]- 352.24934 189.2
[M+NH4]+ 371.29044 199.2
[M+K]+ 392.21978 189.1
[M+H-H2O]+ 336.25388 183.1
[M+HCOO]- 398.25482 198.1
[M+CH3COO]- 412.27047 214.6
[M+Na-2H]- 374.23129 185.6
[M]+ 353.25607 189.1
[M]- 353.25717 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.