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]+ 188.11037 144.2
[M+Na]+ 210.09231 150.0
[M-H]- 186.09581 145.8
[M+NH4]+ 205.13691 164.9
[M+K]+ 226.06625 148.4
[M+H-H2O]+ 170.10035 138.0
[M+HCOO]- 232.10129 159.5
[M+CH3COO]- 246.11694 180.0
[M+Na-2H]- 208.07776 143.3
[M]+ 187.10254 144.9
[M]- 187.10364 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.