CID 46595

Tl-1490

Structural Information

Molecular Formula
C17H29N2O2
SMILES
CCCCCCC1=C(C=CC(=C1)[N+](C)(C)C)OC(=O)NC
InChI
InChI=1S/C17H28N2O2/c1-6-7-8-9-10-14-13-15(19(3,4)5)11-12-16(14)21-17(20)18-2/h11-13H,6-10H2,1-5H3/p+1
InChIKey
RRTKDZIAMYDFOW-UHFFFAOYSA-O
Compound name
[3-hexyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.2229 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.23018 171.4
[M+Na]+ 316.21212 183.3
[M+NH4]+ 311.25672 179.3
[M+K]+ 332.18606 177.5
[M-H]- 292.21562 175.5
[M+Na-2H]- 314.19757 177.4
[M]+ 293.22235 174.6
[M]- 293.22345 174.6
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.