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
2
Annotation Hits

0
References

2706
Patents

314.3059 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.313176 185.5
[M+Na]+ 337.295118 186.8
[M-H]- 313.298624 184.0
[M+NH4]+ 332.339723 200.0
[M+K]+ 353.269058 179.1
[M+H-H2O]+ 297.303160 181.9
[M+HCOO]- 359.304101 202.8
[M+CH3COO]- 373.319751 209.2
[M+Na-2H]- 335.280566 186.7
[M]+ 314.30535142 189.5
[M]- 314.30644858 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