CID 526931

Kahweofuran

Structural Information

Molecular Formula
C7H8OS
SMILES
CC1=C2C(=CO1)CCS2
InChI
InChI=1S/C7H8OS/c1-5-7-6(4-8-5)2-3-9-7/h4H,2-3H2,1H3
InChIKey
WQOKVCDOEDFSAJ-UHFFFAOYSA-N
Compound name
6-methyl-2,3-dihydrothieno[2,3-c]furan
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

140.02959 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03687 125.8
[M+Na]+ 163.01881 136.3
[M-H]- 139.02231 132.1
[M+NH4]+ 158.06341 152.0
[M+K]+ 178.99275 136.0
[M+H-H2O]+ 123.02685 122.7
[M+HCOO]- 185.02779 145.6
[M+CH3COO]- 199.04344 141.7
[M+Na-2H]- 161.00426 129.3
[M]+ 140.02904 129.1
[M]- 140.03014 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe