CID 71757050

Octahydro-1h-indole-6-sulfonic acid

Structural Information

Molecular Formula
C8H15NO3S
SMILES
C1CC(CC2C1CCN2)S(=O)(=O)O
InChI
InChI=1S/C8H15NO3S/c10-13(11,12)7-2-1-6-3-4-9-8(6)5-7/h6-9H,1-5H2,(H,10,11,12)
InChIKey
HJZJFNRYVWVMQL-UHFFFAOYSA-N
Compound name
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07727 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 144.2
[M+Na]+ 228.06649 150.3
[M-H]- 204.06999 143.9
[M+NH4]+ 223.11109 163.7
[M+K]+ 244.04043 147.2
[M+H-H2O]+ 188.07453 139.8
[M+HCOO]- 250.07547 153.9
[M+CH3COO]- 264.09112 174.6
[M+Na-2H]- 226.05194 146.1
[M]+ 205.07672 139.8
[M]- 205.07782 139.8
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.