CID 67293940

3-(tert-butylsulfanyl)pyrrolidine

Structural Information

Molecular Formula
C8H17NS
SMILES
CC(C)(C)SC1CCNC1
InChI
InChI=1S/C8H17NS/c1-8(2,3)10-7-4-5-9-6-7/h7,9H,4-6H2,1-3H3
InChIKey
FUEPKRIAHFAAGF-UHFFFAOYSA-N
Compound name
3-tert-butylsulfanylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

159.10817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.115446 138.0
[M+Na]+ 182.097388 144.4
[M-H]- 158.100894 138.6
[M+NH4]+ 177.141993 159.5
[M+K]+ 198.071328 142.2
[M+H-H2O]+ 142.105430 132.9
[M+HCOO]- 204.106371 151.3
[M+CH3COO]- 218.122021 172.8
[M+Na-2H]- 180.082836 139.0
[M]+ 159.10762142 135.9
[M]- 159.10871858 135.9
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

patents stripe