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]+ 206.084546 144.2
[M+Na]+ 228.066488 150.3
[M-H]- 204.069994 143.9
[M+NH4]+ 223.111093 163.7
[M+K]+ 244.040428 147.2
[M+H-H2O]+ 188.074530 139.8
[M+HCOO]- 250.075471 153.9
[M+CH3COO]- 264.091121 174.6
[M+Na-2H]- 226.051936 146.1
[M]+ 205.07672142 139.8
[M]- 205.07781858 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.