CID 974447

712319-44-3

Structural Information

Molecular Formula
C10H11NO4S
SMILES
CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C10H11NO4S/c1-16(14,15)11-5-4-7-6-8(10(12)13)2-3-9(7)11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey
JNMXVSCEGKFVJR-UHFFFAOYSA-N
Compound name
1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

241.04088 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 151.1
[M+Na]+ 264.03010 160.6
[M+NH4]+ 259.07470 157.7
[M+K]+ 280.00404 157.0
[M-H]- 240.03360 149.7
[M+Na-2H]- 262.01555 153.4
[M]+ 241.04033 152.2
[M]- 241.04143 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe