CID 522918

Thiolan-3-amine

Structural Information

Molecular Formula
C4H9NS
SMILES
C1CSCC1N
InChI
InChI=1S/C4H9NS/c5-4-1-2-6-3-4/h4H,1-3,5H2
InChIKey
GBNRIMMKLMTDLW-UHFFFAOYSA-N
Compound name
thiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

494
Patents

103.04557 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 118.6
[M+Na]+ 126.03479 125.6
[M-H]- 102.03829 121.7
[M+NH4]+ 121.07939 143.4
[M+K]+ 142.00873 124.4
[M+H-H2O]+ 86.042830 113.7
[M+HCOO]- 148.04377 137.5
[M+CH3COO]- 162.05942 165.1
[M+Na-2H]- 124.02024 120.9
[M]+ 103.04502 115.1
[M]- 103.04612 115.1
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

No patent data available for this compound.