CID 59134275

2-(thian-4-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H15NS
SMILES
C1CSCCC1CCN
InChI
InChI=1S/C7H15NS/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2
InChIKey
UCNCEWRKAYFRPO-UHFFFAOYSA-N
Compound name
2-(thian-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

145.09251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 130.2
[M+Na]+ 168.081728 134.7
[M-H]- 144.085234 132.5
[M+NH4]+ 163.126333 151.4
[M+K]+ 184.055668 132.6
[M+H-H2O]+ 128.089770 124.6
[M+HCOO]- 190.090711 146.1
[M+CH3COO]- 204.106361 174.4
[M+Na-2H]- 166.067176 132.5
[M]+ 145.09196142 125.5
[M]- 145.09305858 125.5
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

patents stripe