CID 55284308

4-methylthiolan-3-amine

Structural Information

Molecular Formula
C5H11NS
SMILES
CC1CSCC1N
InChI
InChI=1S/C5H11NS/c1-4-2-7-3-5(4)6/h4-5H,2-3,6H2,1H3
InChIKey
KIMYQDGXIBABDJ-UHFFFAOYSA-N
Compound name
4-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]+ 118.06850 122.7
[M+Na]+ 140.05044 130.1
[M-H]- 116.05394 126.0
[M+NH4]+ 135.09504 147.2
[M+K]+ 156.02438 128.6
[M+H-H2O]+ 100.05848 117.9
[M+HCOO]- 162.05942 141.3
[M+CH3COO]- 176.07507 169.2
[M+Na-2H]- 138.03589 123.8
[M]+ 117.06067 119.9
[M]- 117.06177 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