CID 43153236

9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride

Structural Information

Molecular Formula
C10H12ClNO
SMILES
C1CC(C2=C(C(=CC=C2)Cl)OC1)N
InChI
InChI=1S/C10H12ClNO/c11-8-4-1-3-7-9(12)5-2-6-13-10(7)8/h1,3-4,9H,2,5-6,12H2
InChIKey
DYZOLKINGZEDSH-UHFFFAOYSA-N
Compound name
9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
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]+ 198.068026 137.2
[M+Na]+ 220.049968 144.6
[M-H]- 196.053474 142.7
[M+NH4]+ 215.094573 155.9
[M+K]+ 236.023908 145.8
[M+H-H2O]+ 180.058010 132.8
[M+HCOO]- 242.058951 153.4
[M+CH3COO]- 256.074601 150.0
[M+Na-2H]- 218.035416 144.2
[M]+ 197.06020142 133.6
[M]- 197.06129858 133.6
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.