CID 121581704

2-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H13NOS
SMILES
C1C(OC2=CC=CC=C2S1)CCN
InChI
InChI=1S/C10H13NOS/c11-6-5-8-7-13-10-4-2-1-3-9(10)12-8/h1-4,8H,5-7,11H2
InChIKey
XDFWENMLDSZLDN-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0718 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 138.0
[M+Na]+ 218.06102 144.9
[M-H]- 194.06452 142.4
[M+NH4]+ 213.10562 157.3
[M+K]+ 234.03496 142.6
[M+H-H2O]+ 178.06906 132.2
[M+HCOO]- 240.07000 154.0
[M+CH3COO]- 254.08565 150.6
[M+Na-2H]- 216.04647 143.8
[M]+ 195.07125 137.2
[M]- 195.07235 137.3
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

No patent data available for this compound.