CID 391577

Nsc691032

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC(=O)OC1=C2C=CC=NC2=C3C(=C1)CC(O3)(C)C
InChI
InChI=1S/C15H15NO3/c1-9(17)18-12-7-10-8-15(2,3)19-14(10)13-11(12)5-4-6-16-13/h4-7H,8H2,1-3H3
InChIKey
CZUJBHYKEBSVRK-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-furo[3,2-h]quinolin-5-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 156.7
[M+Na]+ 280.09442 167.1
[M-H]- 256.09792 162.2
[M+NH4]+ 275.13902 177.3
[M+K]+ 296.06836 165.0
[M+H-H2O]+ 240.10246 150.4
[M+HCOO]- 302.10340 175.8
[M+CH3COO]- 316.11905 195.9
[M+Na-2H]- 278.07987 162.8
[M]+ 257.10465 161.1
[M]- 257.10575 161.1
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.