CID 15279287

2,3-dihydro-1h-indole-6-sulfonic acid

Structural Information

Molecular Formula
C8H9NO3S
SMILES
C1CNC2=C1C=CC(=C2)S(=O)(=O)O
InChI
InChI=1S/C8H9NO3S/c10-13(11,12)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2,(H,10,11,12)
InChIKey
SNRSKXDRZWSQKH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole-6-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

199.03032 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 139.8
[M+Na]+ 222.01954 149.2
[M-H]- 198.02304 140.9
[M+NH4]+ 217.06414 159.9
[M+K]+ 237.99348 145.3
[M+H-H2O]+ 182.02758 135.4
[M+HCOO]- 244.02852 154.0
[M+CH3COO]- 258.04417 173.4
[M+Na-2H]- 220.00499 144.5
[M]+ 199.02977 139.7
[M]- 199.03087 139.7
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

patents stripe