CID 10583876

5-methoxy-3,3-dimethylisoindolin-1-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1(C2=C(C=CC(=C2)OC)C(=O)N1)C
InChI
InChI=1S/C11H13NO2/c1-11(2)9-6-7(14-3)4-5-8(9)10(13)12-11/h4-6H,1-3H3,(H,12,13)
InChIKey
ZLMBGBZUFNKJRJ-UHFFFAOYSA-N
Compound name
5-methoxy-3,3-dimethyl-2H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

191.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.6
[M+Na]+ 214.08386 150.1
[M-H]- 190.08736 142.3
[M+NH4]+ 209.12846 162.8
[M+K]+ 230.05780 146.8
[M+H-H2O]+ 174.09190 134.7
[M+HCOO]- 236.09284 160.6
[M+CH3COO]- 250.10849 181.3
[M+Na-2H]- 212.06931 145.2
[M]+ 191.09409 140.7
[M]- 191.09519 140.7
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