CID 255849

Methyl 3-formylthiophene-2-carboxylate

Structural Information

Molecular Formula
C7H6O3S
SMILES
COC(=O)C1=C(C=CS1)C=O
InChI
InChI=1S/C7H6O3S/c1-10-7(9)6-5(4-8)2-3-11-6/h2-4H,1H3
InChIKey
PPNVUVBYMGWBSG-UHFFFAOYSA-N
Compound name
methyl 3-formylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

170.00377 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.01105 135.1
[M+Na]+ 192.99299 145.5
[M+NH4]+ 188.03759 143.2
[M+K]+ 208.96693 140.3
[M-H]- 168.99649 135.6
[M+Na-2H]- 190.97844 139.1
[M]+ 170.00322 136.9
[M]- 170.00432 136.9
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