CID 147311

Indoline-5,6-diol

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CNC2=CC(=C(C=C21)O)O
InChI
InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9-11H,1-2H2
InChIKey
VGSVNUGKHOVSPK-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole-5,6-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

5367
Patents

151.06332 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe