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]+ 164.070596 131.9
[M+Na]+ 186.052538 141.9
[M-H]- 162.056044 133.2
[M+NH4]+ 181.097143 153.4
[M+K]+ 202.026478 138.0
[M+H-H2O]+ 146.060580 126.9
[M+HCOO]- 208.061521 152.0
[M+CH3COO]- 222.077171 173.1
[M+Na-2H]- 184.037986 136.8
[M]+ 163.06277142 130.1
[M]- 163.06386858 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