CID 55265626

934389-18-1

Structural Information

Molecular Formula
C9H9NO2
SMILES
COC1=CC=CC2=C1C(=O)NC2
InChI
InChI=1S/C9H9NO2/c1-12-7-4-2-3-6-5-10-9(11)8(6)7/h2-4H,5H2,1H3,(H,10,11)
InChIKey
JHEBWQWNBLZBSG-UHFFFAOYSA-N
Compound name
7-methoxy-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 131.4
[M+Na]+ 186.05254 140.9
[M-H]- 162.05604 133.7
[M+NH4]+ 181.09714 153.3
[M+K]+ 202.02648 138.0
[M+H-H2O]+ 146.06058 125.9
[M+HCOO]- 208.06152 153.1
[M+CH3COO]- 222.07717 174.5
[M+Na-2H]- 184.03799 137.5
[M]+ 163.06277 131.0
[M]- 163.06387 131.0
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