CID 3080590

2971-31-5

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)O
InChI
InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)
InChIKey
ILGMGHZPXRDCCS-UHFFFAOYSA-N
Compound name
2-(2-oxo-1,3-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

167
Patents

191.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 138.8
[M+Na]+ 214.04746 147.2
[M-H]- 190.05096 139.6
[M+NH4]+ 209.09206 158.5
[M+K]+ 230.02140 143.6
[M+H-H2O]+ 174.05550 133.3
[M+HCOO]- 236.05644 157.9
[M+CH3COO]- 250.07209 177.2
[M+Na-2H]- 212.03291 142.7
[M]+ 191.05769 137.0
[M]- 191.05879 137.0
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