CID 13156396

Methyl 4-formylthiophene-2-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 132.9
[M+Na]+ 192.99299 142.5
[M-H]- 168.99649 137.5
[M+NH4]+ 188.03759 155.9
[M+K]+ 208.96693 141.2
[M+H-H2O]+ 153.00103 128.1
[M+HCOO]- 215.00197 153.6
[M+CH3COO]- 229.01762 174.8
[M+Na-2H]- 190.97844 134.6
[M]+ 170.00322 137.7
[M]- 170.00432 137.7
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