CID 10487789

Methyl 4-(2-hydroxyethyl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C8H10O3S
SMILES
COC(=O)C1=CC(=CS1)CCO
InChI
InChI=1S/C8H10O3S/c1-11-8(10)7-4-6(2-3-9)5-12-7/h4-5,9H,2-3H2,1H3
InChIKey
CZULKROWRXVUNJ-UHFFFAOYSA-N
Compound name
methyl 4-(2-hydroxyethyl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.03506 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04234 138.9
[M+Na]+ 209.02428 147.3
[M-H]- 185.02778 141.8
[M+NH4]+ 204.06888 160.5
[M+K]+ 224.99822 145.4
[M+H-H2O]+ 169.03232 134.0
[M+HCOO]- 231.03326 157.6
[M+CH3COO]- 245.04891 176.0
[M+Na-2H]- 207.00973 139.7
[M]+ 186.03451 142.9
[M]- 186.03561 142.9
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