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

15
Patents

140.02959 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.036866 126.2
[M+Na]+ 163.018808 136.1
[M-H]- 139.022314 130.8
[M+NH4]+ 158.063413 150.7
[M+K]+ 178.992748 134.1
[M+H-H2O]+ 123.026850 121.6
[M+HCOO]- 185.027791 147.3
[M+CH3COO]- 199.043441 171.6
[M+Na-2H]- 161.004256 128.9
[M]+ 140.02904142 129.6
[M]- 140.03013858 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