CID 28744234

4-(2-oxo-2,3-dihydro-1h-indol-5-yl)butanoic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
C1C2=C(C=CC(=C2)CCCC(=O)O)NC1=O
InChI
InChI=1S/C12H13NO3/c14-11-7-9-6-8(2-1-3-12(15)16)4-5-10(9)13-11/h4-6H,1-3,7H2,(H,13,14)(H,15,16)
InChIKey
AKRKNRCNQNYUSB-UHFFFAOYSA-N
Compound name
4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 148.1
[M+Na]+ 242.07876 155.6
[M-H]- 218.08226 148.5
[M+NH4]+ 237.12336 166.7
[M+K]+ 258.05270 151.6
[M+H-H2O]+ 202.08680 142.2
[M+HCOO]- 264.08774 166.5
[M+CH3COO]- 278.10339 183.2
[M+Na-2H]- 240.06421 150.9
[M]+ 219.08899 147.0
[M]- 219.09009 147.0
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

No patent data available for this compound.