CID 14198565

3,4-dihydro-2h-1,5-benzodioxepin-6-amine hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1COC2=CC=CC(=C2OC1)N
InChI
InChI=1S/C9H11NO2/c10-7-3-1-4-8-9(7)12-6-2-5-11-8/h1,3-4H,2,5-6,10H2
InChIKey
XLAHVEFEPBILOX-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,5-benzodioxepin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 128.7
[M+Na]+ 188.068198 134.1
[M-H]- 164.071704 135.0
[M+NH4]+ 183.112803 146.0
[M+K]+ 204.042138 138.5
[M+H-H2O]+ 148.076240 123.9
[M+HCOO]- 210.077181 148.6
[M+CH3COO]- 224.092831 141.8
[M+Na-2H]- 186.053646 138.1
[M]+ 165.07843142 124.4
[M]- 165.07952858 124.4
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

patents stripe