CID 22282659

2h,3h,9h-[1,4]dioxino[2,3-g]indole-8-carboxylic acid

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1COC2=C(O1)C=CC3=C2NC(=C3)C(=O)O
InChI
InChI=1S/C11H9NO4/c13-11(14)7-5-6-1-2-8-10(9(6)12-7)16-4-3-15-8/h1-2,5,12H,3-4H2,(H,13,14)
InChIKey
OINCXSQQAQDBHH-UHFFFAOYSA-N
Compound name
3,9-dihydro-2H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

219.05316 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 141.8
[M+Na]+ 242.04238 151.0
[M-H]- 218.04588 145.1
[M+NH4]+ 237.08698 158.8
[M+K]+ 258.01632 149.6
[M+H-H2O]+ 202.05042 136.2
[M+HCOO]- 264.05136 158.5
[M+CH3COO]- 278.06701 154.6
[M+Na-2H]- 240.02783 149.5
[M]+ 219.05261 142.8
[M]- 219.05371 142.8
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