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

72
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 143.5
[M+Na]+ 228.06312 151.4
[M-H]- 204.06662 144.1
[M+NH4]+ 223.10772 162.6
[M+K]+ 244.03706 147.6
[M+H-H2O]+ 188.07116 137.8
[M+HCOO]- 250.07210 162.2
[M+CH3COO]- 264.08775 180.2
[M+Na-2H]- 226.04857 146.8
[M]+ 205.07335 142.0
[M]- 205.07445 142.0
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