CID 11149656

Sodium 2,3,3-trimethyl-3h-indole-5-sulfonate

Structural Information

Molecular Formula
C11H13NO3S
SMILES
CC1=NC2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C11H13NO3S/c1-7-11(2,3)9-6-8(16(13,14)15)4-5-10(9)12-7/h4-6H,1-3H3,(H,13,14,15)
InChIKey
HUFDYAIAEFHOKI-UHFFFAOYSA-N
Compound name
2,3,3-trimethylindole-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

391
Patents

239.06161 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06889 149.7
[M+Na]+ 262.05083 161.7
[M-H]- 238.05433 153.1
[M+NH4]+ 257.09543 171.6
[M+K]+ 278.02477 158.2
[M+H-H2O]+ 222.05887 145.8
[M+HCOO]- 284.05981 165.8
[M+CH3COO]- 298.07546 186.5
[M+Na-2H]- 260.03628 154.7
[M]+ 239.06106 155.1
[M]- 239.06216 155.1
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.