CID 3032953

(cis)-2-mercaptocyclobutylamine hydrochloride

Structural Information

Molecular Formula
C4H9NS
SMILES
C1C[C@H]([C@H]1N)S
InChI
InChI=1S/C4H9NS/c5-3-1-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4+/m0/s1
InChIKey
ZIGBHZKAJIZAGA-IUYQGCFVSA-N
Compound name
(1R,2S)-2-aminocyclobutane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

103.04557 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 114.2
[M+Na]+ 126.03479 119.7
[M+NH4]+ 121.07939 120.1
[M+K]+ 142.00873 115.0
[M-H]- 102.03829 114.0
[M+Na-2H]- 124.02024 116.8
[M]+ 103.04502 114.0
[M]- 103.04612 114.0
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.