CID 10441867

1h-isoindole-5,6-diol, 2,3-dihydro-, hydrobromide (1:1)

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1C2=CC(=C(C=C2CN1)O)O
InChI
InChI=1S/C8H9NO2/c10-7-1-5-3-9-4-6(5)2-8(7)11/h1-2,9-11H,3-4H2
InChIKey
ZRAUGZJONYATGX-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-isoindole-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

151.06332 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.1
[M+Na]+ 174.052538 137.8
[M-H]- 150.056044 128.7
[M+NH4]+ 169.097143 150.1
[M+K]+ 190.026478 134.0
[M+H-H2O]+ 134.060580 124.2
[M+HCOO]- 196.061521 147.8
[M+CH3COO]- 210.077171 167.3
[M+Na-2H]- 172.037986 134.8
[M]+ 151.06277142 125.4
[M]- 151.06386858 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe