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]+ 211.09966 142.8
[M+Na]+ 233.08160 150.7
[M-H]- 209.08510 146.4
[M+NH4]+ 228.12620 161.2
[M+K]+ 249.05554 150.4
[M+H-H2O]+ 193.08964 136.9
[M+HCOO]- 255.09058 158.0
[M+CH3COO]- 269.10623 154.8
[M+Na-2H]- 231.06705 147.7
[M]+ 210.09183 138.3
[M]- 210.09293 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.