CID 4962737

(9-chloro-3,4-dihydro-2h-1,5-benzodioxepin-7-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
C1COC2=C(C(=CC(=C2)CN)Cl)OC1
InChI
InChI=1S/C10H12ClNO2/c11-8-4-7(6-12)5-9-10(8)14-3-1-2-13-9/h4-5H,1-3,6,12H2
InChIKey
KEKKRAXNERZNDG-UHFFFAOYSA-N
Compound name
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.05565 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 145.0
[M+Na]+ 236.04487 156.3
[M+NH4]+ 231.08947 153.4
[M+K]+ 252.01881 151.5
[M-H]- 212.04837 150.2
[M+Na-2H]- 234.03032 149.8
[M]+ 213.05510 148.4
[M]- 213.05620 148.4
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