CID 170262

Dopaminechrome

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1CNC2=CC(=O)C(=O)C=C21
InChI
InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9H,1-2H2
InChIKey
XDEURYRPQDIBSL-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole-5,6-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

220
Patents

149.04768 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 129.0
[M+Na]+ 172.03690 140.4
[M+NH4]+ 167.08150 137.4
[M+K]+ 188.01084 136.5
[M-H]- 148.04040 129.5
[M+Na-2H]- 170.02235 133.1
[M]+ 149.04713 130.4
[M]- 149.04823 130.4
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