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]+ 258.112476 156.7
[M+Na]+ 280.094418 167.1
[M-H]- 256.097924 162.2
[M+NH4]+ 275.139023 177.3
[M+K]+ 296.068358 165.0
[M+H-H2O]+ 240.102460 150.4
[M+HCOO]- 302.103401 175.8
[M+CH3COO]- 316.119051 195.9
[M+Na-2H]- 278.079866 162.8
[M]+ 257.10465142 161.1
[M]- 257.10574858 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.