CID 818897

4-methylthiophene-3-carbaldehyde

Structural Information

Molecular Formula
C6H6OS
SMILES
CC1=CSC=C1C=O
InChI
InChI=1S/C6H6OS/c1-5-3-8-4-6(5)2-7/h2-4H,1H3
InChIKey
LFXBQQUFGBBKJY-UHFFFAOYSA-N
Compound name
4-methylthiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

126.01394 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.02122 123.9
[M+Na]+ 149.00316 135.8
[M+NH4]+ 144.04776 133.8
[M+K]+ 164.97710 129.1
[M-H]- 125.00666 126.0
[M+Na-2H]- 146.98861 129.6
[M]+ 126.01339 126.6
[M]- 126.01449 126.6
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

No patent data available for this compound.