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

15
Patents

117.06122 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 121.1
[M+Na]+ 140.050438 125.2
[M-H]- 116.053944 123.8
[M+NH4]+ 135.095043 136.6
[M+K]+ 156.024378 127.4
[M+H-H2O]+ 100.058480 109.9
[M+HCOO]- 162.059421 137.1
[M+CH3COO]- 176.075071 174.6
[M+Na-2H]- 138.035886 122.7
[M]+ 117.06067142 127.1
[M]- 117.06176858 127.1
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