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]+ 175.08997 138.7
[M+Na]+ 197.07191 145.3
[M-H]- 173.07541 140.3
[M+NH4]+ 192.11651 159.5
[M+K]+ 213.04585 143.5
[M+H-H2O]+ 157.07995 132.6
[M+HCOO]- 219.08089 154.9
[M+CH3COO]- 233.09654 179.1
[M+Na-2H]- 195.05736 137.7
[M]+ 174.08214 137.2
[M]- 174.08324 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.