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]+ 185.02669 134.9
[M+Na]+ 207.00863 142.9
[M-H]- 183.01213 139.0
[M+NH4]+ 202.05323 156.2
[M+K]+ 222.98257 141.9
[M+H-H2O]+ 167.01667 130.8
[M+HCOO]- 229.01761 150.1
[M+CH3COO]- 243.03326 174.9
[M+Na-2H]- 204.99408 138.2
[M]+ 184.01886 135.8
[M]- 184.01996 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