CID 818903

90724-50-8

Structural Information

Molecular Formula
C6H7NOS
SMILES
CSC1=CC=C(N1)C=O
InChI
InChI=1S/C6H7NOS/c1-9-6-3-2-5(4-8)7-6/h2-4,7H,1H3
InChIKey
QFCLPWSKYKUTBY-UHFFFAOYSA-N
Compound name
5-methylsulfanyl-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.02484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 128.4
[M+Na]+ 164.01406 139.5
[M+NH4]+ 159.05866 137.0
[M+K]+ 179.98800 133.3
[M-H]- 140.01756 129.1
[M+Na-2H]- 161.99951 132.9
[M]+ 141.02429 130.4
[M]- 141.02539 130.4
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.