CID 10702443

4112-65-6

Structural Information

Molecular Formula
C9H7NO3
SMILES
CN1C(=O)C2=C(C1=O)C=C(C=C2)O
InChI
InChI=1S/C9H7NO3/c1-10-8(12)6-3-2-5(11)4-7(6)9(10)13/h2-4,11H,1H3
InChIKey
NPGOHPCRXNKNQM-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

177.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 132.3
[M+Na]+ 200.03181 143.8
[M-H]- 176.03531 135.4
[M+NH4]+ 195.07641 154.1
[M+K]+ 216.00575 140.9
[M+H-H2O]+ 160.03985 127.3
[M+HCOO]- 222.04079 154.3
[M+CH3COO]- 236.05644 178.2
[M+Na-2H]- 198.01726 137.2
[M]+ 177.04204 133.5
[M]- 177.04314 133.5
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