CID 7141588

2639374-73-3

Structural Information

Molecular Formula
C6H13NS
SMILES
CSC[C@H]1CCCN1
InChI
InChI=1S/C6H13NS/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKey
UAFBQROGXTXREC-ZCFIWIBFSA-N
Compound name
(2R)-2-(methylsulfanylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

131.07687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 127.9
[M+Na]+ 154.066088 134.6
[M-H]- 130.069594 128.5
[M+NH4]+ 149.110693 150.3
[M+K]+ 170.040028 132.6
[M+H-H2O]+ 114.074130 122.5
[M+HCOO]- 176.075071 143.3
[M+CH3COO]- 190.090721 167.1
[M+Na-2H]- 152.051536 129.2
[M]+ 131.07632142 125.6
[M]- 131.07741858 125.6
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

patents stripe