CID 3073859

153686-88-5

Structural Information

Molecular Formula
C9H15NS
SMILES
CCC1=CC=C(N1CCS)C
InChI
InChI=1S/C9H15NS/c1-3-9-5-4-8(2)10(9)6-7-11/h4-5,11H,3,6-7H2,1-2H3
InChIKey
CENVXGXTLISIBT-UHFFFAOYSA-N
Compound name
2-(2-ethyl-5-methylpyrrol-1-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 138.1
[M+Na]+ 192.08173 150.0
[M+NH4]+ 187.12633 147.5
[M+K]+ 208.05567 142.7
[M-H]- 168.08523 140.1
[M+Na-2H]- 190.06718 142.9
[M]+ 169.09196 140.9
[M]- 169.09306 140.9
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

No patent data available for this compound.