CID 28535

17427-00-8

Structural Information

Molecular Formula
C11H16NO2
SMILES
CC(=O)OC1=CC=CC(=C1)[N+](C)(C)C
InChI
InChI=1S/C11H16NO2/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h5-8H,1-4H3/q+1
InChIKey
OEUQDGNNEYCCQW-UHFFFAOYSA-N
Compound name
(3-acetyloxyphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

194.1181 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12538 139.8
[M+Na]+ 217.10732 147.3
[M-H]- 193.11082 145.5
[M+NH4]+ 212.15192 160.0
[M+K]+ 233.08126 141.5
[M+H-H2O]+ 177.11536 137.0
[M+HCOO]- 239.11630 164.0
[M+CH3COO]- 253.13195 182.7
[M+Na-2H]- 215.09277 149.1
[M]+ 194.11755 141.3
[M]- 194.11865 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.