CID 34795

30074-75-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 151.3
[M+Na]+ 262.09692 165.0
[M+NH4]+ 257.14152 161.4
[M+K]+ 278.07086 156.4
[M-H]- 238.10042 155.4
[M+Na-2H]- 260.08237 157.6
[M]+ 239.10715 154.8
[M]- 239.10825 154.8
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.