CID 53488446

Thietan-3-ylmethanamine hydrochloride

Structural Information

Molecular Formula
C4H9NS
SMILES
C1C(CS1)CN
InChI
InChI=1S/C4H9NS/c5-1-4-2-6-3-4/h4H,1-3,5H2
InChIKey
RIJUAJZTROUSRH-UHFFFAOYSA-N
Compound name
thietan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

103.04557 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 113.7
[M+Na]+ 126.03479 118.9
[M+NH4]+ 121.07939 119.6
[M+K]+ 142.00873 114.0
[M-H]- 102.03829 113.5
[M+Na-2H]- 124.02024 116.6
[M]+ 103.04502 113.5
[M]- 103.04612 113.5
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