CID 596001

7699-17-4

Structural Information

Molecular Formula
C9H9NO2
SMILES
COC1=CC=CC2=C1CC(=O)N2
InChI
InChI=1S/C9H9NO2/c1-12-8-4-2-3-7-6(8)5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKey
WINOEVFNWAEXIF-UHFFFAOYSA-N
Compound name
4-methoxy-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

163.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.4
[M+Na]+ 186.05254 144.5
[M+NH4]+ 181.09714 141.0
[M+K]+ 202.02648 140.3
[M-H]- 162.05604 133.3
[M+Na-2H]- 184.03799 137.3
[M]+ 163.06277 134.2
[M]- 163.06387 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe