CID 82406699

1480852-51-4

Structural Information

Molecular Formula
C8H8O3S
SMILES
C1COCC2=C1C=C(S2)C(=O)O
InChI
InChI=1S/C8H8O3S/c9-8(10)6-3-5-1-2-11-4-7(5)12-6/h3H,1-2,4H2,(H,9,10)
InChIKey
ATQZJQVZQHPLOO-UHFFFAOYSA-N
Compound name
5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.01941 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.026686 134.9
[M+Na]+ 207.008628 142.9
[M-H]- 183.012134 139.0
[M+NH4]+ 202.053233 156.2
[M+K]+ 222.982568 141.9
[M+H-H2O]+ 167.016670 130.8
[M+HCOO]- 229.017611 150.1
[M+CH3COO]- 243.033261 174.9
[M+Na-2H]- 204.994076 138.2
[M]+ 184.01886142 135.8
[M]- 184.01995858 135.8
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

patents stripe