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 126.2
[M+Na]+ 164.01406 136.1
[M-H]- 140.01756 128.0
[M+NH4]+ 159.05866 148.6
[M+K]+ 179.98800 133.3
[M+H-H2O]+ 124.02210 121.1
[M+HCOO]- 186.02304 144.9
[M+CH3COO]- 200.03869 168.5
[M+Na-2H]- 161.99951 128.8
[M]+ 141.02429 127.8
[M]- 141.02539 127.8
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

No patent data available for this compound.