CID 83904788

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

Structural Information

Molecular Formula
C5H11NS
SMILES
CC(C1CSC1)N
InChI
InChI=1S/C5H11NS/c1-4(6)5-2-7-3-5/h4-5H,2-3,6H2,1H3
InChIKey
XRVJVLSLSPOMAZ-UHFFFAOYSA-N
Compound name
1-(thietan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 119.6
[M+Na]+ 140.05044 124.2
[M+NH4]+ 135.09504 125.2
[M+K]+ 156.02438 119.8
[M-H]- 116.05394 119.1
[M+Na-2H]- 138.03589 121.8
[M]+ 117.06067 119.2
[M]- 117.06177 119.2
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