CID 37759

5-diethylamino-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CN(C)C1CCCOC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C12H16ClNO/c1-14(2)11-4-3-7-15-12-8-9(13)5-6-10(11)12/h5-6,8,11H,3-4,7H2,1-2H3
InChIKey
ATFNDSWWIRUYIW-UHFFFAOYSA-N
Compound name
8-chloro-N,N-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 147.4
[M+Na]+ 248.08126 158.9
[M+NH4]+ 243.12586 156.5
[M+K]+ 264.05520 153.3
[M-H]- 224.08476 152.2
[M+Na-2H]- 246.06671 153.4
[M]+ 225.09149 150.8
[M]- 225.09259 150.8
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.