CID 169830

5-ethylthiophene-2-carbaldehyde

Structural Information

Molecular Formula
C7H8OS
SMILES
CCC1=CC=C(S1)C=O
InChI
InChI=1S/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
InChIKey
CLQXZICUPGZTPE-UHFFFAOYSA-N
Compound name
5-ethylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

543
Patents

140.02959 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe