CID 124511780

2-[(thiophen-3-yl)methylidene]butanal

Structural Information

Molecular Formula
C9H10OS
SMILES
CC/C(=C\C1=CSC=C1)/C=O
InChI
InChI=1S/C9H10OS/c1-2-8(6-10)5-9-3-4-11-7-9/h3-7H,2H2,1H3/b8-5+
InChIKey
PXFUNUAAGVHVOT-VMPITWQZSA-N
Compound name
(2E)-2-(thiophen-3-ylmethylidene)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04524 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05252 136.2
[M+Na]+ 189.03446 144.4
[M-H]- 165.03796 140.1
[M+NH4]+ 184.07906 159.2
[M+K]+ 205.00840 141.7
[M+H-H2O]+ 149.04250 131.0
[M+HCOO]- 211.04344 155.8
[M+CH3COO]- 225.05909 175.8
[M+Na-2H]- 187.01991 137.3
[M]+ 166.04469 138.5
[M]- 166.04579 138.5
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

No patent data available for this compound.