CID 25200900

(e)-2-(1h-indol-3-yl)-1-thioacetohydroximate

Structural Information

Molecular Formula
C10H9N2OS
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=S)N[O-]
InChI
InChI=1S/C10H9N2OS/c13-12-10(14)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H-,12,13,14)/q-1
InChIKey
QJVSBJILIPGQOM-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N-oxidoethanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

205.04356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05084 141.2
[M+Na]+ 228.03278 152.2
[M+NH4]+ 223.07738 149.2
[M+K]+ 244.00672 146.9
[M-H]- 204.03628 142.4
[M+Na-2H]- 226.01823 145.7
[M]+ 205.04301 143.0
[M]- 205.04411 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.