CID 6430722

2-(thiophen-2-yl)acetaldehyde

Structural Information

Molecular Formula
C6H6OS
SMILES
C1=CSC(=C1)CC=O
InChI
InChI=1S/C6H6OS/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2
InChIKey
JTGKLBDOZYMAEA-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

591
Patents

126.01394 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.02122 124.1
[M+Na]+ 149.00316 135.6
[M+NH4]+ 144.04776 134.0
[M+K]+ 164.97710 128.7
[M-H]- 125.00666 126.2
[M+Na-2H]- 146.98861 130.0
[M]+ 126.01339 126.7
[M]- 126.01449 126.7
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