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 139.3
[M+Na]+ 228.03278 148.1
[M-H]- 204.03628 140.3
[M+NH4]+ 223.07738 158.9
[M+K]+ 244.00672 143.7
[M+H-H2O]+ 188.04082 135.7
[M+HCOO]- 250.04176 157.6
[M+CH3COO]- 264.05741 179.3
[M+Na-2H]- 226.01823 143.1
[M]+ 205.04301 138.7
[M]- 205.04411 138.7
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

No patent data available for this compound.