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]+ 160.11545 138.0
[M+Na]+ 182.09739 144.4
[M-H]- 158.10089 138.6
[M+NH4]+ 177.14199 159.5
[M+K]+ 198.07133 142.2
[M+H-H2O]+ 142.10543 132.9
[M+HCOO]- 204.10637 151.3
[M+CH3COO]- 218.12202 172.8
[M+Na-2H]- 180.08284 139.0
[M]+ 159.10762 135.9
[M]- 159.10872 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