CID 78597

N-hydroxymethyl-3,4,5,6-tetrahydrophthalimide

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1CCC2=C(C1)C(=O)N(C2=O)CO
InChI
InChI=1S/C9H11NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h11H,1-5H2
InChIKey
QQHOVRKETYPQHY-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

378
Patents

181.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.8
[M+Na]+ 204.06312 147.9
[M+NH4]+ 199.10772 145.4
[M+K]+ 220.03706 144.8
[M-H]- 180.06662 137.6
[M+Na-2H]- 202.04857 140.1
[M]+ 181.07335 138.8
[M]- 181.07445 138.8
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