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]+ 198.131106 145.0
[M+Na]+ 220.113048 153.7
[M-H]- 196.116554 147.9
[M+NH4]+ 215.157653 166.3
[M+K]+ 236.086988 151.2
[M+H-H2O]+ 180.121090 139.2
[M+HCOO]- 242.122031 162.1
[M+CH3COO]- 256.137681 187.1
[M+Na-2H]- 218.098496 143.8
[M]+ 197.12328142 149.4
[M]- 197.12437858 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.