CID 18329069

796870-80-9

Structural Information

Molecular Formula

C₁₀H₇NO₄

SMILES

C1OC2=C(O1)C3=C(C=C2)NC(=C3)C(=O)O

InChI

InChI=1S/C10H7NO4/c12-10(13)7-3-5-6(11-7)1-2-8-9(5)15-4-14-8/h1-3,11H,4H2,(H,12,13)

InChIKey

LXDZNVVODQUNEM-UHFFFAOYSA-N

Compound name

6H-[1,3]dioxolo[4,5-e]indole-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 205.0375 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.044776	137.8
[M+Na]+	228.026718	148.3
[M-H]-	204.030224	141.8
[M+NH4]+	223.071323	157.3
[M+K]+	244.000658	147.2
[M+H-H2O]+	188.034760	133.7
[M+HCOO]-	250.035701	157.1
[M+CH3COO]-	264.051351	151.8
[M+Na-2H]-	226.012166	144.4
[M]+	205.03695142	140.7
[M]-	205.03804858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe