CID 459602

Quinolin-6-yl acetate

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC(=O)OC1=CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C11H9NO2/c1-8(13)14-10-4-5-11-9(7-10)3-2-6-12-11/h2-7H,1H3
InChIKey
BHXCPQHXDLLGAV-UHFFFAOYSA-N
Compound name
quinolin-6-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

187.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 137.1
[M+Na]+ 210.05254 146.1
[M-H]- 186.05604 140.6
[M+NH4]+ 205.09714 156.6
[M+K]+ 226.02648 143.7
[M+H-H2O]+ 170.06058 130.2
[M+HCOO]- 232.06152 159.3
[M+CH3COO]- 246.07717 181.9
[M+Na-2H]- 208.03799 145.8
[M]+ 187.06277 138.9
[M]- 187.06387 138.9
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.