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 138.1
[M+Na]+ 216.09950 142.4
[M-H]- 192.10300 144.1
[M+NH4]+ 211.14410 154.3
[M+K]+ 232.07344 147.0
[M+H-H2O]+ 176.10754 133.0
[M+HCOO]- 238.10848 156.4
[M+CH3COO]- 252.12413 150.2
[M+Na-2H]- 214.08495 145.2
[M]+ 193.10973 133.8
[M]- 193.11083 133.8
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.