CID 6483838

1-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C1=CC2=C(C=C1)OCCCO2)N
InChI
InChI=1S/C11H15NO2/c1-8(12)9-3-4-10-11(7-9)14-6-2-5-13-10/h3-4,7-8H,2,5-6,12H2,1H3
InChIKey
ZKYATSWXTBXDHA-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 144.0
[M+Na]+ 216.09950 153.7
[M+NH4]+ 211.14410 151.9
[M+K]+ 232.07344 150.1
[M-H]- 192.10300 148.9
[M+Na-2H]- 214.08495 148.3
[M]+ 193.10973 146.8
[M]- 193.11083 146.8
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.