CID 165751948

(1r)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1h-3-benzazepin-3-amine hydrochloride

Structural Information

Molecular Formula
C11H15ClN2
SMILES
C[C@H]1CN(CCC2=C1C=C(C=C2)Cl)N
InChI
InChI=1S/C11H15ClN2/c1-8-7-14(13)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
InChIKey
TVVYUHORMHYPGZ-QMMMGPOBSA-N
Compound name
(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.09238 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.099656 142.8
[M+Na]+ 233.081598 150.7
[M-H]- 209.085104 146.4
[M+NH4]+ 228.126203 161.2
[M+K]+ 249.055538 150.4
[M+H-H2O]+ 193.089640 136.9
[M+HCOO]- 255.090581 158.0
[M+CH3COO]- 269.106231 154.8
[M+Na-2H]- 231.067046 147.7
[M]+ 210.09183142 138.3
[M]- 210.09292858 138.3
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.