CID 8354

N-(hydroxymethyl)phthalimide

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CO
InChI
InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2
InChIKey
MNSGOOCAMMSKGI-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

2199
Patents

177.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 134.7
[M+Na]+ 200.03181 146.7
[M+NH4]+ 195.07641 142.5
[M+K]+ 216.00575 143.2
[M-H]- 176.03531 134.9
[M+Na-2H]- 198.01726 138.8
[M]+ 177.04204 136.2
[M]- 177.04314 136.2
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