CID 589482

2971-17-7

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)CCC(=O)O
InChI
InChI=1S/C11H11NO3/c13-10(14)6-5-8-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14)
InChIKey
BFQGSVVUAHHSFU-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

205.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 144.3
[M+Na]+ 228.06312 154.6
[M+NH4]+ 223.10772 151.2
[M+K]+ 244.03706 151.5
[M-H]- 204.06662 143.7
[M+Na-2H]- 226.04857 147.1
[M]+ 205.07335 145.2
[M]- 205.07445 145.2
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