CID 47268

Tl-1463

Structural Information

Molecular Formula
C18H31N2O2
SMILES
CCCCCCC1=C(C=CC(=C1)OC(=O)N(C)C)[N+](C)(C)C
InChI
InChI=1S/C18H31N2O2/c1-7-8-9-10-11-15-14-16(22-18(21)19(2)3)12-13-17(15)20(4,5)6/h12-14H,7-11H2,1-6H3/q+1
InChIKey
SOHYXXAXMCJTJI-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamoyloxy)-2-hexylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.23856 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.24584 176.0
[M+Na]+ 330.22778 180.6
[M-H]- 306.23128 182.0
[M+NH4]+ 325.27238 192.2
[M+K]+ 346.20172 174.5
[M+H-H2O]+ 290.23582 171.3
[M+HCOO]- 352.23676 199.2
[M+CH3COO]- 366.25241 212.6
[M+Na-2H]- 328.21323 180.4
[M]+ 307.23801 180.6
[M]- 307.23911 180.6
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.