CID 127598341

2-[(methylsulfanyl)methyl]pyrrolidine-1-carboxamide

Structural Information

Molecular Formula
C7H14N2OS
SMILES
CSCC1CCCN1C(=O)N
InChI
InChI=1S/C7H14N2OS/c1-11-5-6-3-2-4-9(6)7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKey
ZJAQJTOJGISVEO-UHFFFAOYSA-N
Compound name
2-(methylsulfanylmethyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.08269 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.089966 138.7
[M+Na]+ 197.071908 145.3
[M-H]- 173.075414 140.3
[M+NH4]+ 192.116513 159.5
[M+K]+ 213.045848 143.5
[M+H-H2O]+ 157.079950 132.6
[M+HCOO]- 219.080891 154.9
[M+CH3COO]- 233.096541 179.1
[M+Na-2H]- 195.057356 137.7
[M]+ 174.08214142 137.2
[M]- 174.08323858 137.2
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.