CID 15629560

83171-40-8

Structural Information

Molecular Formula
C5H11NS
SMILES
C1CC(SC1)CN
InChI
InChI=1S/C5H11NS/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
InChIKey
FLHFMMKGHUKQHI-UHFFFAOYSA-N
Compound name
thiolan-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

117.06122 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 123.0
[M+Na]+ 140.05044 129.6
[M-H]- 116.05394 126.0
[M+NH4]+ 135.09504 147.2
[M+K]+ 156.02438 128.1
[M+H-H2O]+ 100.05848 117.9
[M+HCOO]- 162.05942 141.6
[M+CH3COO]- 176.07507 168.1
[M+Na-2H]- 138.03589 124.8
[M]+ 117.06067 119.8
[M]- 117.06177 119.8
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