CID 44558626

2172018-86-7

Structural Information

Molecular Formula
C9H13NO3
SMILES
C1CC2CC(=O)NC2CC1C(=O)O
InChI
InChI=1S/C9H13NO3/c11-8-4-5-1-2-6(9(12)13)3-7(5)10-8/h5-7H,1-4H2,(H,10,11)(H,12,13)
InChIKey
JIXAHEDIHBCIBV-UHFFFAOYSA-N
Compound name
2-oxo-1,3,3a,4,5,6,7,7a-octahydroindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 140.0
[M+Na]+ 206.07876 147.9
[M+NH4]+ 201.12336 147.0
[M+K]+ 222.05270 145.8
[M-H]- 182.08226 138.8
[M+Na-2H]- 204.06421 140.6
[M]+ 183.08899 140.2
[M]- 183.09009 140.2
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

No patent data available for this compound.