CID 66545183

6-methoxy-5-methyl-2,3-dihydro-1h-isoindol-1-one

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC1=CC2=C(C=C1OC)C(=O)NC2
InChI
InChI=1S/C10H11NO2/c1-6-3-7-5-11-10(12)8(7)4-9(6)13-2/h3-4H,5H2,1-2H3,(H,11,12)
InChIKey
BTWSJGZHCFLRDH-UHFFFAOYSA-N
Compound name
6-methoxy-5-methyl-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.07898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 135.8
[M+Na]+ 200.068198 145.8
[M-H]- 176.071704 138.3
[M+NH4]+ 195.112803 157.5
[M+K]+ 216.042138 142.6
[M+H-H2O]+ 160.076240 130.4
[M+HCOO]- 222.077181 157.1
[M+CH3COO]- 236.092831 178.7
[M+Na-2H]- 198.053646 140.7
[M]+ 177.07843142 136.2
[M]- 177.07952858 136.2
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