CID 132372732

2307754-61-4

Structural Information

Molecular Formula
C9H13NO3
SMILES
C1CC[C@]2(CC(=O)N[C@H]2C1)C(=O)O
InChI
InChI=1S/C9H13NO3/c11-7-5-9(8(12)13)4-2-1-3-6(9)10-7/h6H,1-5H2,(H,10,11)(H,12,13)/t6-,9+/m0/s1
InChIKey
RLMDDKLJTIBXGL-IMTBSYHQSA-N
Compound name
(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indole-3a-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 140.3
[M+Na]+ 206.07876 146.1
[M-H]- 182.08226 140.0
[M+NH4]+ 201.12336 161.8
[M+K]+ 222.05270 143.4
[M+H-H2O]+ 166.08680 135.4
[M+HCOO]- 228.08774 155.2
[M+CH3COO]- 242.10339 173.7
[M+Na-2H]- 204.06421 143.5
[M]+ 183.08899 133.7
[M]- 183.09009 133.7
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.