CID 17862582

Methyl 3-(hydroxymethyl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C7H8O3S
SMILES
COC(=O)C1=C(C=CS1)CO
InChI
InChI=1S/C7H8O3S/c1-10-7(9)6-5(4-8)2-3-11-6/h2-3,8H,4H2,1H3
InChIKey
NFEVEDLQVJSKCA-UHFFFAOYSA-N
Compound name
methyl 3-(hydroxymethyl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

172.01941 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe