CID 48672

66967-90-6

Structural Information

Molecular Formula
C16H19N2O2
SMILES
C[N+](C)(C)CC1=C(C=CC=N1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H19N2O2/c1-18(2,3)12-14-15(10-7-11-17-14)20-16(19)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3/q+1
InChIKey
YXJUMNQTJBDXHD-UHFFFAOYSA-N
Compound name
(3-benzoyloxypyridin-2-yl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14465 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15193 162.7
[M+Na]+ 294.13387 169.0
[M-H]- 270.13737 169.5
[M+NH4]+ 289.17847 177.7
[M+K]+ 310.10781 161.0
[M+H-H2O]+ 254.14191 156.8
[M+HCOO]- 316.14285 185.1
[M+CH3COO]- 330.15850 196.1
[M+Na-2H]- 292.11932 171.9
[M]+ 271.14410 163.7
[M]- 271.14520 163.7
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.