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 148.3
[M+Na]+ 226.08722 153.1
[M-H]- 202.09072 148.5
[M+NH4]+ 221.13182 167.4
[M+K]+ 242.06116 151.6
[M+H-H2O]+ 186.09526 142.3
[M+HCOO]- 248.09620 161.2
[M+CH3COO]- 262.11185 180.1
[M+Na-2H]- 224.07267 146.0
[M]+ 203.09745 147.9
[M]- 203.09855 147.9
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.