CID 3088666

Brn 5554234

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC1(CC(=O)/C(=C\2/C3=CC=CC=C3NC2=O)/CO1)C
InChI
InChI=1S/C15H15NO3/c1-15(2)7-12(17)10(8-19-15)13-9-5-3-4-6-11(9)16-14(13)18/h3-6H,7-8H2,1-2H3,(H,16,18)/b13-10-
InChIKey
VEZCGDOXKNSWMC-RAXLEYEMSA-N
Compound name
(3Z)-3-(6,6-dimethyl-4-oxooxan-3-ylidene)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.2
[M+Na]+ 280.09442 165.9
[M-H]- 256.09792 162.9
[M+NH4]+ 275.13902 175.8
[M+K]+ 296.06836 161.9
[M+H-H2O]+ 240.10246 150.9
[M+HCOO]- 302.10340 173.5
[M+CH3COO]- 316.11905 169.1
[M+Na-2H]- 278.07987 159.9
[M]+ 257.10465 153.8
[M]- 257.10575 153.8
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.