CID 33290

(carboxymethyl)dimethyl(dimethylaminoethyl)ammonium, chloride, decyl ester

Structural Information

Molecular Formula
C18H39N2O2
SMILES
CCCCCCCCCCOC(=O)C[N+](C)(C)CCN(C)C
InChI
InChI=1S/C18H39N2O2/c1-6-7-8-9-10-11-12-13-16-22-18(21)17-20(4,5)15-14-19(2)3/h6-17H2,1-5H3/q+1
InChIKey
MYUHJENEQYHPMB-UHFFFAOYSA-N
Compound name
(2-decoxy-2-oxoethyl)-[2-(dimethylamino)ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.30115 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.30843 184.0
[M+Na]+ 338.29037 185.7
[M-H]- 314.29387 185.5
[M+NH4]+ 333.33497 199.6
[M+K]+ 354.26431 180.1
[M+H-H2O]+ 298.29841 179.6
[M+HCOO]- 360.29935 205.7
[M+CH3COO]- 374.31500 215.8
[M+Na-2H]- 336.27582 187.1
[M]+ 315.30060 190.6
[M]- 315.30170 190.6
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.