CID 11542998

(2s)-1-acetyl-2,3-dihydro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1
InChIKey
OGMIMMRKTFZDKW-JTQLQIEISA-N
Compound name
(2S)-1-acetyl-2,3-dihydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

205.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 143.2
[M+Na]+ 228.06312 151.4
[M-H]- 204.06662 145.4
[M+NH4]+ 223.10772 163.1
[M+K]+ 244.03706 149.0
[M+H-H2O]+ 188.07116 137.5
[M+HCOO]- 250.07210 162.5
[M+CH3COO]- 264.08775 182.9
[M+Na-2H]- 226.04857 145.9
[M]+ 205.07335 142.9
[M]- 205.07445 142.9
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