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

495
Patents

103.04557 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.052846 118.6
[M+Na]+ 126.034788 125.6
[M-H]- 102.038294 121.7
[M+NH4]+ 121.079393 143.4
[M+K]+ 142.008728 124.4
[M+H-H2O]+ 86.042830 113.7
[M+HCOO]- 148.043771 137.5
[M+CH3COO]- 162.059421 165.1
[M+Na-2H]- 124.020236 120.9
[M]+ 103.04502142 115.1
[M]- 103.04611858 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

literature stripe

Patent stripe

patents stripe