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

25
Patents

219.05316 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 141.8
[M+Na]+ 242.042378 151.0
[M-H]- 218.045884 145.1
[M+NH4]+ 237.086983 158.8
[M+K]+ 258.016318 149.6
[M+H-H2O]+ 202.050420 136.2
[M+HCOO]- 264.051361 158.5
[M+CH3COO]- 278.067011 154.6
[M+Na-2H]- 240.027826 149.5
[M]+ 219.05261142 142.8
[M]- 219.05370858 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