CID 71517

Akos024354814

Structural Information

Molecular Formula
C18H38NO2
SMILES
CCCCCCCCCCCC[N+](C)(C)CC(=O)OCC
InChI
InChI=1S/C18H38NO2/c1-5-7-8-9-10-11-12-13-14-15-16-19(3,4)17-18(20)21-6-2/h5-17H2,1-4H3/q+1
InChIKey
INBPRSAQDFIGRJ-UHFFFAOYSA-N
Compound name
dodecyl-(2-ethoxy-2-oxoethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

300.29025 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.29753 181.0
[M+Na]+ 323.27947 183.5
[M-H]- 299.28297 181.2
[M+NH4]+ 318.32407 197.0
[M+K]+ 339.25341 176.5
[M+H-H2O]+ 283.28751 177.3
[M+HCOO]- 345.28845 201.2
[M+CH3COO]- 359.30410 207.7
[M+Na-2H]- 321.26492 184.5
[M]+ 300.28970 187.2
[M]- 300.29080 187.2
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

patents stripe