CID 3078489

1,3,3a,4,9,9a-hexahydrothieno(3,4-b)quinoxaline 2-oxide

Structural Information

Molecular Formula
C10H12N2OS
SMILES
C1C2C(CS1=O)NC3=CC=CC=C3N2
InChI
InChI=1S/C10H12N2OS/c13-14-5-9-10(6-14)12-8-4-2-1-3-7(8)11-9/h1-4,9-12H,5-6H2
InChIKey
CVKQQGHRARURPG-UHFFFAOYSA-N
Compound name
1,3,3a,4,9,9a-hexahydrothieno[3,4-b]quinoxaline 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07431 141.6
[M+Na]+ 231.05625 150.2
[M-H]- 207.05975 141.5
[M+NH4]+ 226.10085 161.2
[M+K]+ 247.03019 144.8
[M+H-H2O]+ 191.06429 136.1
[M+HCOO]- 253.06523 152.0
[M+CH3COO]- 267.08088 152.9
[M+Na-2H]- 229.04170 144.8
[M]+ 208.06648 137.7
[M]- 208.06758 137.7
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.