CID 12496473

58083-55-9

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

347
Patents

147.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 128.3
[M+Na]+ 170.057638 137.9
[M-H]- 146.061144 130.7
[M+NH4]+ 165.102243 151.0
[M+K]+ 186.031578 134.5
[M+H-H2O]+ 130.065680 123.0
[M+HCOO]- 192.066621 149.8
[M+CH3COO]- 206.082271 172.4
[M+Na-2H]- 168.043086 134.4
[M]+ 147.06787142 126.6
[M]- 147.06896858 126.6
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