CID 155820559

2460755-43-3

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1CN(CC2=C1SC=C2)N=O
InChI
InChI=1S/C7H8N2OS/c10-8-9-3-1-7-6(5-9)2-4-11-7/h2,4H,1,3,5H2
InChIKey
WSSBSMYKKFCSSL-UHFFFAOYSA-N
Compound name
5-nitroso-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 130.6
[M+Na]+ 191.02496 139.6
[M-H]- 167.02846 135.4
[M+NH4]+ 186.06956 153.8
[M+K]+ 206.99890 138.0
[M+H-H2O]+ 151.03300 124.7
[M+HCOO]- 213.03394 150.2
[M+CH3COO]- 227.04959 144.9
[M+Na-2H]- 189.01041 135.7
[M]+ 168.03519 131.9
[M]- 168.03629 131.9
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.