CID 37755

5-amino-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride

Structural Information

Molecular Formula
C10H12ClNO
SMILES
C1CC(C2=C(C=C(C=C2)Cl)OC1)N
InChI
InChI=1S/C10H12ClNO/c11-7-3-4-8-9(12)2-1-5-13-10(8)6-7/h3-4,6,9H,1-2,5,12H2
InChIKey
AJOUGIAPSIVVMD-UHFFFAOYSA-N
Compound name
8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

197.06075 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 138.7
[M+Na]+ 220.04997 150.3
[M+NH4]+ 215.09457 147.9
[M+K]+ 236.02391 144.9
[M-H]- 196.05347 143.3
[M+Na-2H]- 218.03542 144.7
[M]+ 197.06020 142.0
[M]- 197.06130 142.0
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.