CID 165677813

1862405-91-1

Structural Information

Molecular Formula
C9H17NO2S
SMILES
CSCCC(C(=O)N1CCCC1)O
InChI
InChI=1S/C9H17NO2S/c1-13-7-4-8(11)9(12)10-5-2-3-6-10/h8,11H,2-7H2,1H3
InChIKey
VAKGVMWKNLWOQV-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methylsulfanyl-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.098 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10528 147.6
[M+Na]+ 226.08722 154.7
[M+NH4]+ 221.13182 154.8
[M+K]+ 242.06116 150.3
[M-H]- 202.09072 146.8
[M+Na-2H]- 224.07267 148.8
[M]+ 203.09745 148.4
[M]- 203.09855 148.4
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.