CID 3032992

41551-80-8

Structural Information

Molecular Formula
C5H11NS
SMILES
C1C[C@H]([C@@H]1CN)S
InChI
InChI=1S/C5H11NS/c6-3-4-1-2-5(4)7/h4-5,7H,1-3,6H2/t4-,5+/m0/s1
InChIKey
REKMAYDTOPWRCI-CRCLSJGQSA-N
Compound name
(1R,2S)-2-(aminomethyl)cyclobutane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

117.06122 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 118.5
[M+Na]+ 140.05044 123.9
[M+NH4]+ 135.09504 124.3
[M+K]+ 156.02438 118.9
[M-H]- 116.05394 118.3
[M+Na-2H]- 138.03589 120.9
[M]+ 117.06067 118.3
[M]- 117.06177 118.3
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.