CID 4534750

135447-09-5

Structural Information

Molecular Formula
C20H39NO4
SMILES
CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)O
InChI
InChI=1S/C20H39NO4/c1-3-5-7-9-11-13-15-21(16-14-12-10-8-6-4-2)19(22)17-25-18-20(23)24/h3-18H2,1-2H3,(H,23,24)
InChIKey
KOHUSHSNNOEPFN-UHFFFAOYSA-N
Compound name
2-[2-(dioctylamino)-2-oxoethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

357.2879 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.29518 193.8
[M+Na]+ 380.27712 198.4
[M+NH4]+ 375.32172 211.7
[M+K]+ 396.25106 193.0
[M-H]- 356.28062 190.8
[M+Na-2H]- 378.26257 191.9
[M]+ 357.28735 193.0
[M]- 357.28845 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe