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]+ 204.105276 148.3
[M+Na]+ 226.087218 153.1
[M-H]- 202.090724 148.5
[M+NH4]+ 221.131823 167.4
[M+K]+ 242.061158 151.6
[M+H-H2O]+ 186.095260 142.3
[M+HCOO]- 248.096201 161.2
[M+CH3COO]- 262.111851 180.1
[M+Na-2H]- 224.072666 146.0
[M]+ 203.09745142 147.9
[M]- 203.09854858 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.