CID 57375660

208337-83-1

Structural Information

Molecular Formula
C11H16O4S
SMILES
CCOC(=O)C1=CC=C(S1)CC[C@H](CO)O
InChI
InChI=1S/C11H16O4S/c1-2-15-11(14)10-6-5-9(16-10)4-3-8(13)7-12/h5-6,8,12-13H,2-4,7H2,1H3/t8-/m1/s1
InChIKey
LPCMJARXPCVXIA-MRVPVSSYSA-N
Compound name
ethyl 5-[(3R)-3,4-dihydroxybutyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07693 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.084206 156.3
[M+Na]+ 267.066148 162.3
[M-H]- 243.069654 157.1
[M+NH4]+ 262.110753 174.6
[M+K]+ 283.040088 159.8
[M+H-H2O]+ 227.074190 150.8
[M+HCOO]- 289.075131 171.5
[M+CH3COO]- 303.090781 185.4
[M+Na-2H]- 265.051596 154.2
[M]+ 244.07638142 160.2
[M]- 244.07747858 160.2
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.