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

341
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 128.3
[M+Na]+ 170.05764 137.9
[M-H]- 146.06114 130.7
[M+NH4]+ 165.10224 151.0
[M+K]+ 186.03158 134.5
[M+H-H2O]+ 130.06568 123.0
[M+HCOO]- 192.06662 149.8
[M+CH3COO]- 206.08227 172.4
[M+Na-2H]- 168.04309 134.4
[M]+ 147.06787 126.6
[M]- 147.06897 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