CID 48670

66967-89-3

Structural Information

Molecular Formula
C11H17N2O2
SMILES
CC(=O)OC1=C(N=CC=C1)C[N+](C)(C)C
InChI
InChI=1S/C11H17N2O2/c1-9(14)15-11-6-5-7-12-10(11)8-13(2,3)4/h5-7H,8H2,1-4H3/q+1
InChIKey
RFGLMXQFLRROLP-UHFFFAOYSA-N
Compound name
(3-acetyloxypyridin-2-yl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.129 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13628 144.3
[M+Na]+ 232.11822 151.8
[M-H]- 208.12172 148.5
[M+NH4]+ 227.16282 162.6
[M+K]+ 248.09216 145.7
[M+H-H2O]+ 192.12626 140.5
[M+HCOO]- 254.12720 167.2
[M+CH3COO]- 268.14285 185.3
[M+Na-2H]- 230.10367 153.8
[M]+ 209.12845 146.2
[M]- 209.12955 146.2
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.