CID 6430721

2-ethylthiophene-3-carbaldehyde

Structural Information

Molecular Formula
C7H8OS
SMILES
CCC1=C(C=CS1)C=O
InChI
InChI=1S/C7H8OS/c1-2-7-6(5-8)3-4-9-7/h3-5H,2H2,1H3
InChIKey
BZJVXWRAUTYFQJ-UHFFFAOYSA-N
Compound name
2-ethylthiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

140.02959 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03687 126.2
[M+Na]+ 163.01881 136.1
[M-H]- 139.02231 130.8
[M+NH4]+ 158.06341 150.7
[M+K]+ 178.99275 134.1
[M+H-H2O]+ 123.02685 121.6
[M+HCOO]- 185.02779 147.3
[M+CH3COO]- 199.04344 171.6
[M+Na-2H]- 161.00426 128.9
[M]+ 140.02904 129.6
[M]- 140.03014 129.6
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