CID 115604459

N-[2-(methylsulfanyl)ethyl]pyrrolidine-1-carboxamide

Structural Information

Molecular Formula
C8H16N2OS
SMILES
CSCCNC(=O)N1CCCC1
InChI
InChI=1S/C8H16N2OS/c1-12-7-4-9-8(11)10-5-2-3-6-10/h2-7H2,1H3,(H,9,11)
InChIKey
DRAIKTQPQUDOAQ-UHFFFAOYSA-N
Compound name
N-(2-methylsulfanylethyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09833 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10561 143.4
[M+Na]+ 211.08755 148.7
[M-H]- 187.09105 145.0
[M+NH4]+ 206.13215 163.7
[M+K]+ 227.06149 147.1
[M+H-H2O]+ 171.09559 136.7
[M+HCOO]- 233.09653 159.9
[M+CH3COO]- 247.11218 181.0
[M+Na-2H]- 209.07300 143.5
[M]+ 188.09778 142.7
[M]- 188.09888 142.7
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.