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]+ 169.043016 130.6
[M+Na]+ 191.024958 139.6
[M-H]- 167.028464 135.4
[M+NH4]+ 186.069563 153.8
[M+K]+ 206.998898 138.0
[M+H-H2O]+ 151.033000 124.7
[M+HCOO]- 213.033941 150.2
[M+CH3COO]- 227.049591 144.9
[M+Na-2H]- 189.010406 135.7
[M]+ 168.03519142 131.9
[M]- 168.03628858 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.