CID 13891675

1582574-02-4

Structural Information

Molecular Formula
C9H18N2OS
SMILES
CSCCC(C(=O)N1CCCC1)N
InChI
InChI=1S/C9H18N2OS/c1-13-7-4-8(10)9(12)11-5-2-3-6-11/h8H,2-7,10H2,1H3
InChIKey
XVGCJJBXAPGGKC-UHFFFAOYSA-N
Compound name
2-amino-4-methylsulfanyl-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11398 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12126 147.6
[M+Na]+ 225.10320 154.0
[M+NH4]+ 220.14780 155.0
[M+K]+ 241.07714 149.5
[M-H]- 201.10670 147.8
[M+Na-2H]- 223.08865 149.2
[M]+ 202.11343 148.5
[M]- 202.11453 148.5
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.