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

31
Patents

145.09251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 130.2
[M+Na]+ 168.08173 134.7
[M-H]- 144.08523 132.5
[M+NH4]+ 163.12633 151.4
[M+K]+ 184.05567 132.6
[M+H-H2O]+ 128.08977 124.6
[M+HCOO]- 190.09071 146.1
[M+CH3COO]- 204.10636 174.4
[M+Na-2H]- 166.06718 132.5
[M]+ 145.09196 125.5
[M]- 145.09306 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