CID 84324723

1807555-56-1

Structural Information

Molecular Formula
C9H17NOS
SMILES
CSCCCC(=O)N1CCCC1
InChI
InChI=1S/C9H17NOS/c1-12-8-4-5-9(11)10-6-2-3-7-10/h2-8H2,1H3
InChIKey
ZZVZMXINDNBVCB-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.10309 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.110366 144.2
[M+Na]+ 210.092308 150.0
[M-H]- 186.095814 145.8
[M+NH4]+ 205.136913 164.9
[M+K]+ 226.066248 148.4
[M+H-H2O]+ 170.100350 138.0
[M+HCOO]- 232.101291 159.5
[M+CH3COO]- 246.116941 180.0
[M+Na-2H]- 208.077756 143.3
[M]+ 187.10254142 144.9
[M]- 187.10363858 144.9
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

No patent data available for this compound.