CID 3073866

2-isopropyl 5-methyl n-ethanethiol pyrrole

Structural Information

Molecular Formula
C10H17NS
SMILES
CC1=CC=C(N1CCS)C(C)C
InChI
InChI=1S/C10H17NS/c1-8(2)10-5-4-9(3)11(10)6-7-12/h4-5,8,12H,6-7H2,1-3H3
InChIKey
QRMCUTXWBFUSFB-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-propan-2-ylpyrrol-1-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10817 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11545 142.8
[M+Na]+ 206.09739 154.1
[M+NH4]+ 201.14199 151.9
[M+K]+ 222.07133 147.3
[M-H]- 182.10089 144.5
[M+Na-2H]- 204.08284 147.0
[M]+ 183.10762 145.3
[M]- 183.10872 145.3
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.