CID 22506842

327615-31-6

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=CC(=C(C2=C1NC(=O)C2)C)OC
InChI
InChI=1S/C11H13NO2/c1-6-4-9(14-3)7(2)8-5-10(13)12-11(6)8/h4H,5H2,1-3H3,(H,12,13)
InChIKey
BXEUBZUSVSUCDT-UHFFFAOYSA-N
Compound name
5-methoxy-4,7-dimethyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.1
[M+Na]+ 214.08386 150.6
[M-H]- 190.08736 142.8
[M+NH4]+ 209.12846 161.5
[M+K]+ 230.05780 147.2
[M+H-H2O]+ 174.09190 134.8
[M+HCOO]- 236.09284 161.0
[M+CH3COO]- 250.10849 182.9
[M+Na-2H]- 212.06931 143.8
[M]+ 191.09409 141.3
[M]- 191.09519 141.3
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

patents stripe