CID 52987916

5-(methoxycarbonyl)-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC(=O)C1=CC2=C(C=C1)NC(=C2)C(=O)O
InChI
InChI=1S/C11H9NO4/c1-16-11(15)6-2-3-8-7(4-6)5-9(12-8)10(13)14/h2-5,12H,1H3,(H,13,14)
InChIKey
KDLHRCGYOILAFD-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

219.05316 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 145.1
[M+Na]+ 242.04238 156.4
[M+NH4]+ 237.08698 151.4
[M+K]+ 258.01632 154.2
[M-H]- 218.04588 144.1
[M+Na-2H]- 240.02783 148.9
[M]+ 219.05261 146.0
[M]- 219.05371 146.0
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