CID 116105

63982-07-0

Structural Information

Molecular Formula
C16H26NO2
SMILES
CCCCCCC(=O)OC1=CC=CC(=C1)[N+](C)(C)C
InChI
InChI=1S/C16H26NO2/c1-5-6-7-8-12-16(18)19-15-11-9-10-14(13-15)17(2,3)4/h9-11,13H,5-8,12H2,1-4H3/q+1
InChIKey
FQOXYDNHCCXDHU-UHFFFAOYSA-N
Compound name
(3-heptanoyloxyphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.19635 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.20363 164.1
[M+Na]+ 287.18557 169.4
[M-H]- 263.18907 168.8
[M+NH4]+ 282.23017 181.4
[M+K]+ 303.15951 162.2
[M+H-H2O]+ 247.19361 160.2
[M+HCOO]- 309.19455 186.5
[M+CH3COO]- 323.21020 197.9
[M+Na-2H]- 285.17102 170.5
[M]+ 264.19580 167.3
[M]- 264.19690 167.3
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.