CID 101834

686-83-9

Structural Information

Molecular Formula
C17H36NO2
SMILES
CCCCCCCCCCCCC(C(=O)O)[N+](C)(C)C
InChI
InChI=1S/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(2,3)4/h16H,5-15H2,1-4H3/p+1
InChIKey
LVBSECZFJBGOCR-UHFFFAOYSA-O
Compound name
1-carboxytridecyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

16757
Patents

286.2746 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.28188 176.2
[M+Na]+ 309.26382 178.3
[M-H]- 285.26732 175.1
[M+NH4]+ 304.30842 191.8
[M+K]+ 325.23776 171.1
[M+H-H2O]+ 269.27186 173.0
[M+HCOO]- 331.27280 194.2
[M+CH3COO]- 345.28845 203.2
[M+Na-2H]- 307.24927 178.5
[M]+ 286.27405 179.4
[M]- 286.27515 179.4
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