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]+ 196.079076 138.0
[M+Na]+ 218.061018 144.9
[M-H]- 194.064524 142.4
[M+NH4]+ 213.105623 157.3
[M+K]+ 234.034958 142.6
[M+H-H2O]+ 178.069060 132.2
[M+HCOO]- 240.070001 154.0
[M+CH3COO]- 254.085651 150.6
[M+Na-2H]- 216.046466 143.8
[M]+ 195.07125142 137.2
[M]- 195.07234858 137.2
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.