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]+ 195.125376 139.8
[M+Na]+ 217.107318 147.3
[M-H]- 193.110824 145.5
[M+NH4]+ 212.151923 160.0
[M+K]+ 233.081258 141.5
[M+H-H2O]+ 177.115360 137.0
[M+HCOO]- 239.116301 164.0
[M+CH3COO]- 253.131951 182.7
[M+Na-2H]- 215.092766 149.1
[M]+ 194.11755142 141.3
[M]- 194.11864858 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.