CID 14140830

2-(thiophen-3-yl)acetaldehyde

Structural Information

Molecular Formula
C6H6OS
SMILES
C1=CSC=C1CC=O
InChI
InChI=1S/C6H6OS/c7-3-1-6-2-4-8-5-6/h2-5H,1H2
InChIKey
CKCMNYDVHYXJDG-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

631
Patents

126.01394 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.02122 122.5
[M+Na]+ 149.00316 132.0
[M-H]- 125.00666 126.9
[M+NH4]+ 144.04776 147.2
[M+K]+ 164.97710 130.3
[M+H-H2O]+ 109.01120 117.8
[M+HCOO]- 171.01214 144.0
[M+CH3COO]- 185.02779 167.6
[M+Na-2H]- 146.98861 126.4
[M]+ 126.01339 125.2
[M]- 126.01449 125.2
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