CID 75095

Ethyl 3-hydroxythiophene-2-carboxylate

Structural Information

Molecular Formula
C7H8O3S
SMILES
CCOC(=O)C1=C(C=CS1)O
InChI
InChI=1S/C7H8O3S/c1-2-10-7(9)6-5(8)3-4-11-6/h3-4,8H,2H2,1H3
InChIKey
CPNCRCBYQSHUPQ-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxythiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

172.01941 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02669 135.5
[M+Na]+ 195.00863 145.2
[M+NH4]+ 190.05323 143.5
[M+K]+ 210.98257 140.5
[M-H]- 171.01213 135.7
[M+Na-2H]- 192.99408 139.0
[M]+ 172.01886 137.1
[M]- 172.01996 137.1
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