CID 10488522

57061-17-3

Structural Information

Molecular Formula
C10H9NO4
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)O)O
InChI
InChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)
InChIKey
MHLHEINWUCSPTL-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

20
Patents

207.05316 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 142.2
[M+Na]+ 230.04238 151.0
[M-H]- 206.04588 141.9
[M+NH4]+ 225.08698 162.5
[M+K]+ 246.01632 147.3
[M+H-H2O]+ 190.05042 137.6
[M+HCOO]- 252.05136 159.9
[M+CH3COO]- 266.06701 176.6
[M+Na-2H]- 228.02783 147.0
[M]+ 207.05261 140.4
[M]- 207.05371 140.4
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