CID 86024

16545-85-0

Structural Information

Molecular Formula
C19H40NO2
SMILES
CCCCCCCCCCCCCCC(C(=O)O)[N+](C)(C)C
InChI
InChI=1S/C19H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(21)22)20(2,3)4/h18H,5-17H2,1-4H3/p+1
InChIKey
NAQCLDVZUBWFFK-UHFFFAOYSA-O
Compound name
1-carboxypentadecyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2700
Patents

314.3059 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.31318 185.5
[M+Na]+ 337.29512 186.8
[M-H]- 313.29862 184.0
[M+NH4]+ 332.33972 200.0
[M+K]+ 353.26906 179.1
[M+H-H2O]+ 297.30316 181.9
[M+HCOO]- 359.30410 202.8
[M+CH3COO]- 373.31975 209.2
[M+Na-2H]- 335.28057 186.7
[M]+ 314.30535 189.5
[M]- 314.30645 189.5
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