CID 3033104

55217-61-3

Structural Information

Molecular Formula
C5H11NS
SMILES
C1C[C@H]([C@@H]1CS)N
InChI
InChI=1S/C5H11NS/c6-5-2-1-4(5)3-7/h4-5,7H,1-3,6H2/t4-,5+/m0/s1
InChIKey
VTCHBSIICKEKRN-CRCLSJGQSA-N
Compound name
[(1R,2R)-2-aminocyclobutyl]methanethiol
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]+ 118.068496 119.0
[M+Na]+ 140.050438 124.4
[M-H]- 116.053944 122.1
[M+NH4]+ 135.095043 135.0
[M+K]+ 156.024378 126.1
[M+H-H2O]+ 100.058480 108.2
[M+HCOO]- 162.059421 136.1
[M+CH3COO]- 176.075071 174.8
[M+Na-2H]- 138.035886 121.3
[M]+ 117.06067142 126.1
[M]- 117.06176858 126.1
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.