CID 55284188

5-methylthiolan-3-amine

Structural Information

Molecular Formula
C5H11NS
SMILES
CC1CC(CS1)N
InChI
InChI=1S/C5H11NS/c1-4-2-5(6)3-7-4/h4-5H,2-3,6H2,1H3
InChIKey
DEBGAXRZVZMWSF-UHFFFAOYSA-N
Compound name
5-methylthiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

117.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 122.7
[M+Na]+ 140.050438 130.1
[M-H]- 116.053944 126.0
[M+NH4]+ 135.095043 147.2
[M+K]+ 156.024378 128.6
[M+H-H2O]+ 100.058480 117.9
[M+HCOO]- 162.059421 141.3
[M+CH3COO]- 176.075071 169.2
[M+Na-2H]- 138.035886 123.8
[M]+ 117.06067142 119.9
[M]- 117.06176858 119.9
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