CID 43410277

Methyl 1-[3-(methylsulfanyl)propanoyl]pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C10H17NO3S
SMILES
COC(=O)C1CCCN1C(=O)CCSC
InChI
InChI=1S/C10H17NO3S/c1-14-10(13)8-4-3-6-11(8)9(12)5-7-15-2/h8H,3-7H2,1-2H3
InChIKey
PDHQHUZIIQKLAJ-UHFFFAOYSA-N
Compound name
methyl 1-(3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.09291 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10019 153.8
[M+Na]+ 254.08213 159.8
[M-H]- 230.08563 155.7
[M+NH4]+ 249.12673 172.8
[M+K]+ 270.05607 158.7
[M+H-H2O]+ 214.09017 147.7
[M+HCOO]- 276.09111 168.4
[M+CH3COO]- 290.10676 187.3
[M+Na-2H]- 252.06758 151.1
[M]+ 231.09236 156.7
[M]- 231.09346 156.7
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.