CID 45791425

2-[(2,3-dioxo-2,3-dihydro-1h-indol-6-yl)sulfanyl]acetic acid

Structural Information

Molecular Formula
C10H7NO4S
SMILES
C1=CC2=C(C=C1SCC(=O)O)NC(=O)C2=O
InChI
InChI=1S/C10H7NO4S/c12-8(13)4-16-5-1-2-6-7(3-5)11-10(15)9(6)14/h1-3H,4H2,(H,12,13)(H,11,14,15)
InChIKey
CCIUSUPFIAONFI-UHFFFAOYSA-N
Compound name
2-[(2,3-dioxo-1H-indol-6-yl)sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.00958 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.01686 148.1
[M+Na]+ 259.99880 157.6
[M-H]- 236.00230 149.3
[M+NH4]+ 255.04340 166.7
[M+K]+ 275.97274 153.3
[M+H-H2O]+ 220.00684 143.2
[M+HCOO]- 282.00778 162.4
[M+CH3COO]- 296.02343 183.6
[M+Na-2H]- 257.98425 148.9
[M]+ 237.00903 150.0
[M]- 237.01013 150.0
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.