CID 82593584

2-(thietan-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C5H11NS
SMILES
C1C(CS1)CCN
InChI
InChI=1S/C5H11NS/c6-2-1-5-3-7-4-5/h5H,1-4,6H2
InChIKey
BEXVRWKWMWYBDY-UHFFFAOYSA-N
Compound name
2-(thietan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

117.06122 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 118.0
[M+Na]+ 140.05044 123.0
[M+NH4]+ 135.09504 123.8
[M+K]+ 156.02438 117.9
[M-H]- 116.05394 117.7
[M+Na-2H]- 138.03589 120.7
[M]+ 117.06067 117.7
[M]- 117.06177 117.7
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