CID 5295547

1-acetylindoline-5-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC(=O)N1CCC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-7(13)12-5-4-8-6-9(11(14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKey
KRXHHESVJTVORG-UHFFFAOYSA-N
Compound name
1-acetyl-2,3-dihydroindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

205.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 143.8
[M+Na]+ 228.06312 154.3
[M+NH4]+ 223.10772 151.0
[M+K]+ 244.03706 151.7
[M-H]- 204.06662 143.5
[M+Na-2H]- 226.04857 146.9
[M]+ 205.07335 144.8
[M]- 205.07445 144.8
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