CID 34818

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

Structural Information

Molecular Formula
C20H43N2O2
SMILES
CCCCCCCCCCCCOC(=O)C[N+](C)(C)CCN(C)C
InChI
InChI=1S/C20H43N2O2/c1-6-7-8-9-10-11-12-13-14-15-18-24-20(23)19-22(4,5)17-16-21(2)3/h6-19H2,1-5H3/q+1
InChIKey
SSXLJYCQQRDSHZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl-(2-dodecoxy-2-oxoethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.33246 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.33974 193.3
[M+Na]+ 366.32168 194.2
[M-H]- 342.32518 194.4
[M+NH4]+ 361.36628 223.2
[M+K]+ 382.29562 188.1
[M+H-H2O]+ 326.32972 188.5
[M+HCOO]- 388.33066 233.7
[M+CH3COO]- 402.34631 221.7
[M+Na-2H]- 364.30713 195.3
[M]+ 343.33191 200.6
[M]- 343.33301 200.6
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.