CID 66545200

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

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1=CC2=C(C=C1O)C(=O)NC2
InChI
InChI=1S/C9H9NO2/c1-5-2-6-4-10-9(12)7(6)3-8(5)11/h2-3,11H,4H2,1H3,(H,10,12)
InChIKey
CWCDXGLHTAPRIX-UHFFFAOYSA-N
Compound name
6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.9
[M+Na]+ 186.05254 141.9
[M-H]- 162.05604 133.2
[M+NH4]+ 181.09714 153.4
[M+K]+ 202.02648 138.0
[M+H-H2O]+ 146.06058 126.9
[M+HCOO]- 208.06152 152.0
[M+CH3COO]- 222.07717 173.1
[M+Na-2H]- 184.03799 136.8
[M]+ 163.06277 130.1
[M]- 163.06387 130.1
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