CID 11074

N-methylphthalimide

Structural Information

Molecular Formula
C9H7NO2
SMILES
CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey
ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
Compound name
2-methylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

9209
Patents

161.04768 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 131.0
[M+Na]+ 184.03690 144.1
[M+NH4]+ 179.08150 139.7
[M+K]+ 200.01084 139.7
[M-H]- 160.04040 132.3
[M+Na-2H]- 182.02235 136.2
[M]+ 161.04713 133.1
[M]- 161.04823 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe