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]+ 170.063416 132.0
[M+Na]+ 192.045358 139.9
[M-H]- 168.048864 136.7
[M+NH4]+ 187.089963 154.3
[M+K]+ 208.019298 138.3
[M+H-H2O]+ 152.053400 127.3
[M+HCOO]- 214.054341 149.4
[M+CH3COO]- 228.069991 145.7
[M+Na-2H]- 190.030806 136.2
[M]+ 169.05559142 131.5
[M]- 169.05668858 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.