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 157.6
[M+Na]+ 276.11256 164.7
[M-H]- 252.11606 161.6
[M+NH4]+ 271.15716 176.8
[M+K]+ 292.08650 160.3
[M+H-H2O]+ 236.12060 152.2
[M+HCOO]- 298.12154 173.1
[M+CH3COO]- 312.13719 199.4
[M+Na-2H]- 274.09801 160.9
[M]+ 253.12279 158.6
[M]- 253.12389 158.6
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.