CID 53397586

933696-81-2

Structural Information

Molecular Formula
C8H11NOS
SMILES
C1COCC2=C1SC(=C2)CN
InChI
InChI=1S/C8H11NOS/c9-4-7-3-6-5-10-2-1-8(6)11-7/h3H,1-2,4-5,9H2
InChIKey
USOLXSACZBFWEK-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05614 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 132.0
[M+Na]+ 192.04536 139.9
[M-H]- 168.04886 136.7
[M+NH4]+ 187.08996 154.3
[M+K]+ 208.01930 138.3
[M+H-H2O]+ 152.05340 127.3
[M+HCOO]- 214.05434 149.4
[M+CH3COO]- 228.06999 145.7
[M+Na-2H]- 190.03081 136.2
[M]+ 169.05559 131.5
[M]- 169.05669 131.5
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.