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]+ 132.08415 127.9
[M+Na]+ 154.06609 134.6
[M-H]- 130.06959 128.5
[M+NH4]+ 149.11069 150.3
[M+K]+ 170.04003 132.6
[M+H-H2O]+ 114.07413 122.5
[M+HCOO]- 176.07507 143.3
[M+CH3COO]- 190.09072 167.1
[M+Na-2H]- 152.05154 129.2
[M]+ 131.07632 125.6
[M]- 131.07742 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