CID 3073861

153686-91-0

Structural Information

Molecular Formula
C11H19NS
SMILES
CC1=CC=C(N1CCS)CC(C)C
InChI
InChI=1S/C11H19NS/c1-9(2)8-11-5-4-10(3)12(11)6-7-13/h4-5,9,13H,6-8H2,1-3H3
InChIKey
PRIUUJWQSGAHNU-UHFFFAOYSA-N
Compound name
2-[2-methyl-5-(2-methylpropyl)pyrrol-1-yl]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.12383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13111 145.0
[M+Na]+ 220.11305 153.7
[M-H]- 196.11655 147.9
[M+NH4]+ 215.15765 166.3
[M+K]+ 236.08699 151.2
[M+H-H2O]+ 180.12109 139.2
[M+HCOO]- 242.12203 162.1
[M+CH3COO]- 256.13768 187.1
[M+Na-2H]- 218.09850 143.8
[M]+ 197.12328 149.4
[M]- 197.12438 149.4
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.