CID 14024567

Thian-3-amine hydrochloride

Structural Information

Molecular Formula
C5H11NS
SMILES
C1CC(CSC1)N
InChI
InChI=1S/C5H11NS/c6-5-2-1-3-7-4-5/h5H,1-4,6H2
InChIKey
RRYVQPYROGYYSM-UHFFFAOYSA-N
Compound name
thian-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 121.2
[M+Na]+ 140.05044 131.0
[M+NH4]+ 135.09504 131.5
[M+K]+ 156.02438 123.1
[M-H]- 116.05394 124.5
[M+Na-2H]- 138.03589 126.7
[M]+ 117.06067 123.8
[M]- 117.06177 123.8
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