CID 86646433

5-formyl-4-methylthiophene-2-carbonitrile

Structural Information

Molecular Formula
C7H5NOS
SMILES
CC1=C(SC(=C1)C#N)C=O
InChI
InChI=1S/C7H5NOS/c1-5-2-6(3-8)10-7(5)4-9/h2,4H,1H3
InChIKey
AVAKPKWMFBJHGM-UHFFFAOYSA-N
Compound name
5-formyl-4-methylthiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

151.00919 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01647 133.3
[M+Na]+ 173.99841 146.1
[M-H]- 150.00191 138.4
[M+NH4]+ 169.04301 155.3
[M+K]+ 189.97235 143.4
[M+H-H2O]+ 134.00645 122.2
[M+HCOO]- 196.00739 150.9
[M+CH3COO]- 210.02304 186.9
[M+Na-2H]- 171.98386 135.4
[M]+ 151.00864 131.9
[M]- 151.00974 131.9
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

patents stripe