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]+ 184.096816 139.7
[M+Na]+ 206.078758 145.4
[M-H]- 182.082264 139.4
[M+NH4]+ 201.123363 159.4
[M+K]+ 222.052698 142.6
[M+H-H2O]+ 166.086800 134.4
[M+HCOO]- 228.087741 154.6
[M+CH3COO]- 242.103391 175.4
[M+Na-2H]- 204.064206 141.1
[M]+ 183.08899142 133.2
[M]- 183.09008858 133.2
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.