CID 3559388

Akos024420395

Structural Information

Molecular Formula
C17H36NO2
SMILES
CCCC[N+](C)(C)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C17H35NO2/c1-4-5-15-18(2,3)16-13-11-9-7-6-8-10-12-14-17(19)20/h4-16H2,1-3H3/p+1
InChIKey
DDNIDZZSVNCSNP-UHFFFAOYSA-O
Compound name
butyl-(10-carboxydecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2746 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.28188 176.3
[M+Na]+ 309.26382 178.6
[M-H]- 285.26732 175.1
[M+NH4]+ 304.30842 192.0
[M+K]+ 325.23776 170.9
[M+H-H2O]+ 269.27186 173.0
[M+HCOO]- 331.27280 195.2
[M+CH3COO]- 345.28845 202.5
[M+Na-2H]- 307.24927 179.8
[M]+ 286.27405 180.2
[M]- 286.27515 180.2
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

No patent data available for this compound.