CID 105603

1h-indole-5-sulfonic acid, 2-methyl-

Structural Information

Molecular Formula
C9H9NO3S
SMILES
CC1=CC2=C(N1)C=CC(=C2)S(=O)(=O)O
InChI
InChI=1S/C9H9NO3S/c1-6-4-7-5-8(14(11,12)13)2-3-9(7)10-6/h2-5,10H,1H3,(H,11,12,13)
InChIKey
OOHJCZBVOJRQOV-UHFFFAOYSA-N
Compound name
2-methyl-1H-indole-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

211.03032 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03760 143.0
[M+Na]+ 234.01954 154.9
[M+NH4]+ 229.06414 150.5
[M+K]+ 249.99348 150.1
[M-H]- 210.02304 142.6
[M+Na-2H]- 232.00499 147.5
[M]+ 211.02977 144.9
[M]- 211.03087 144.9
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