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]+ 118.06850 118.8
[M+Na]+ 140.05044 123.3
[M-H]- 116.05394 121.5
[M+NH4]+ 135.09504 134.5
[M+K]+ 156.02438 125.0
[M+H-H2O]+ 100.05848 107.7
[M+HCOO]- 162.05942 135.9
[M+CH3COO]- 176.07507 173.8
[M+Na-2H]- 138.03589 121.8
[M]+ 117.06067 125.5
[M]- 117.06177 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