CID 7131349

59820-87-0

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1COC2=C(O1)C=C3C=C(NC3=C2)C(=O)O
InChI
InChI=1S/C11H9NO4/c13-11(14)8-3-6-4-9-10(5-7(6)12-8)16-2-1-15-9/h3-5,12H,1-2H2,(H,13,14)
InChIKey
OGNISQJNVXONKJ-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

literature stripe

Patent stripe

patents stripe