CID 12496473

6-methylisoindolin-1-one

Structural Information

Molecular Formula
C9H9NO
SMILES
CC1=CC2=C(CNC2=O)C=C1
InChI
InChI=1S/C9H9NO/c1-6-2-3-7-5-10-9(11)8(7)4-6/h2-4H,5H2,1H3,(H,10,11)
InChIKey
HFFIGYBPDNKEMJ-UHFFFAOYSA-N
Compound name
6-methyl-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

334
Patents

147.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 129.1
[M+Na]+ 170.05764 141.7
[M+NH4]+ 165.10224 138.3
[M+K]+ 186.03158 136.9
[M-H]- 146.06114 130.6
[M+Na-2H]- 168.04309 134.5
[M]+ 147.06787 131.2
[M]- 147.06897 131.2
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