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

30
Patents

117.06122 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 118.8
[M+Na]+ 140.050438 123.3
[M-H]- 116.053944 121.5
[M+NH4]+ 135.095043 134.5
[M+K]+ 156.024378 125.0
[M+H-H2O]+ 100.058480 107.7
[M+HCOO]- 162.059421 135.9
[M+CH3COO]- 176.075071 173.8
[M+Na-2H]- 138.035886 121.8
[M]+ 117.06067142 125.5
[M]- 117.06176858 125.5
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