CID 24711488

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

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCNC(C)C1=CC2=C(C=C1)OCCCO2
InChI
InChI=1S/C13H19NO2/c1-3-14-10(2)11-5-6-12-13(9-11)16-8-4-7-15-12/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKey
QFJAEXOJFZSESN-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 147.1
[M+Na]+ 244.13081 150.6
[M-H]- 220.13431 153.2
[M+NH4]+ 239.17541 162.4
[M+K]+ 260.10475 154.9
[M+H-H2O]+ 204.13885 141.6
[M+HCOO]- 266.13979 165.4
[M+CH3COO]- 280.15544 193.6
[M+Na-2H]- 242.11626 154.1
[M]+ 221.14104 144.3
[M]- 221.14214 144.3
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.