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]+ 118.06850 119.0
[M+Na]+ 140.05044 124.4
[M-H]- 116.05394 122.1
[M+NH4]+ 135.09504 135.0
[M+K]+ 156.02438 126.1
[M+H-H2O]+ 100.05848 108.2
[M+HCOO]- 162.05942 136.1
[M+CH3COO]- 176.07507 174.8
[M+Na-2H]- 138.03589 121.3
[M]+ 117.06067 126.1
[M]- 117.06177 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.