CID 20098996

4-(ethoxymethyl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C8H10O2S
SMILES
CCOCC1=CSC(=C1)C=O
InChI
InChI=1S/C8H10O2S/c1-2-10-5-7-3-8(4-9)11-6-7/h3-4,6H,2,5H2,1H3
InChIKey
PJYKEQPBTWGBOY-UHFFFAOYSA-N
Compound name
4-(ethoxymethyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.04015 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.047426 134.3
[M+Na]+ 193.029368 143.7
[M-H]- 169.032874 138.7
[M+NH4]+ 188.073973 157.5
[M+K]+ 209.003308 141.8
[M+H-H2O]+ 153.037410 129.3
[M+HCOO]- 215.038351 155.4
[M+CH3COO]- 229.054001 176.6
[M+Na-2H]- 191.014816 136.6
[M]+ 170.03960142 139.5
[M]- 170.04069858 139.5
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

No patent data available for this compound.