CID 19594166

Schembl20121320

Structural Information

Molecular Formula
C19H40NO2
SMILES
CCCCCCCCCCCCCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C19H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2,3)18-19(21)22/h4-18H2,1-3H3/p+1
InChIKey
UGHNQYOFVHICLR-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-pentadecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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 187.0
[M-H]- 313.298624 183.9
[M+NH4]+ 332.339723 200.1
[M+K]+ 353.269058 178.8
[M+H-H2O]+ 297.303160 181.8
[M+HCOO]- 359.304101 203.8
[M+CH3COO]- 373.319751 208.5
[M+Na-2H]- 335.280566 187.9
[M]+ 314.30535142 190.2
[M]- 314.30644858 190.2
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