CID 39530

49800-19-3

Structural Information

Molecular Formula
C14H20ClNO
SMILES
CC(C)N[C@H]1CCCC2=C(C=CC(=C12)Cl)OC
InChI
InChI=1S/C14H20ClNO/c1-9(2)16-12-6-4-5-10-13(17-3)8-7-11(15)14(10)12/h7-9,12,16H,4-6H2,1-3H3/t12-/m0/s1
InChIKey
XIDVGBBMMFUDHY-LBPRGKRZSA-N
Compound name
(1S)-8-chloro-5-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12334 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13062 156.1
[M+Na]+ 276.11256 169.2
[M+NH4]+ 271.15716 165.9
[M+K]+ 292.08650 161.2
[M-H]- 252.11606 160.0
[M+Na-2H]- 274.09801 161.8
[M]+ 253.12279 159.4
[M]- 253.12389 159.4
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.