CID 8899763

Indoline-5-carboxylic acid

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CNC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C9H9NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H,11,12)
InChIKey
DZTLKUKANGQSRN-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

206
Patents

163.06332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 133.1
[M+Na]+ 186.05254 143.9
[M+NH4]+ 181.09714 141.3
[M+K]+ 202.02648 140.6
[M-H]- 162.05604 133.3
[M+Na-2H]- 184.03799 137.3
[M]+ 163.06277 134.4
[M]- 163.06387 134.4
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