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
5
Annotation Hits

27
References

11518
Patents

161.04768 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 129.0
[M+Na]+ 184.036898 140.1
[M-H]- 160.040404 133.1
[M+NH4]+ 179.081503 151.9
[M+K]+ 200.010838 137.5
[M+H-H2O]+ 144.044940 123.6
[M+HCOO]- 206.045881 152.4
[M+CH3COO]- 220.061531 177.4
[M+Na-2H]- 182.022346 134.9
[M]+ 161.04713142 130.2
[M]- 161.04822858 130.2
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