CID 418807

21926-00-1

Structural Information

Molecular Formula
C5H11NS
SMILES
C1CSCCC1N
InChI
InChI=1S/C5H11NS/c6-5-1-3-7-4-2-5/h5H,1-4,6H2
InChIKey
RPIXOLUIHUFDOY-UHFFFAOYSA-N
Compound name
thian-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

950
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 121.5
[M+Na]+ 140.05044 126.8
[M-H]- 116.05394 124.1
[M+NH4]+ 135.09504 143.8
[M+K]+ 156.02438 125.3
[M+H-H2O]+ 100.05848 116.3
[M+HCOO]- 162.05942 138.0
[M+CH3COO]- 176.07507 168.3
[M+Na-2H]- 138.03589 124.8
[M]+ 117.06067 116.1
[M]- 117.06177 116.1
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