CID 34787

30074-65-8

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CN(C)[C@H]1CCCC2=C(C=CC(=C12)Cl)OC
InChI
InChI=1S/C13H18ClNO/c1-15(2)11-6-4-5-9-12(16-3)8-7-10(14)13(9)11/h7-8,11H,4-6H2,1-3H3/t11-/m0/s1
InChIKey
MTWNWMGGMZUIMZ-NSHDSACASA-N
Compound name
(1S)-8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

380
Patents

239.1077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 152.6
[M+Na]+ 262.09692 160.6
[M-H]- 238.10042 158.2
[M+NH4]+ 257.14152 173.1
[M+K]+ 278.07086 157.3
[M+H-H2O]+ 222.10496 147.0
[M+HCOO]- 284.10590 170.0
[M+CH3COO]- 298.12155 199.0
[M+Na-2H]- 260.08237 156.9
[M]+ 239.10715 155.1
[M]- 239.10825 155.1
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.