CID 15893226

2-hydroxy-5-methoxyisoindoline-1,3-dione

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC1=CC2=C(C=C1)C(=O)N(C2=O)O
InChI
InChI=1S/C9H7NO4/c1-14-5-2-3-6-7(4-5)9(12)10(13)8(6)11/h2-4,13H,1H3
InChIKey
VJVPGXXYLJECOC-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

193.0375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 135.0
[M+Na]+ 216.026718 146.3
[M-H]- 192.030224 138.1
[M+NH4]+ 211.071323 156.0
[M+K]+ 232.000658 144.0
[M+H-H2O]+ 176.034760 129.8
[M+HCOO]- 238.035701 157.2
[M+CH3COO]- 252.051351 180.4
[M+Na-2H]- 214.012166 140.0
[M]+ 193.03695142 137.7
[M]- 193.03804858 137.7
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