CID 34783

1-naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-, hydrochloride, (s)-

Structural Information

Molecular Formula
C11H14ClNO
SMILES
COC1=C2CCC[C@@H](C2=C(C=C1)Cl)N
InChI
InChI=1S/C11H14ClNO/c1-14-10-6-5-8(12)11-7(10)3-2-4-9(11)13/h5-6,9H,2-4,13H2,1H3/t9-/m0/s1
InChIKey
RGSHNMRZUPLNCH-VIFPVBQESA-N
Compound name
(1S)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 144.2
[M+Na]+ 234.065608 152.9
[M-H]- 210.069114 148.1
[M+NH4]+ 229.110213 164.9
[M+K]+ 250.039548 148.4
[M+H-H2O]+ 194.073650 139.3
[M+HCOO]- 256.074591 161.1
[M+CH3COO]- 270.090241 188.9
[M+Na-2H]- 232.051056 149.2
[M]+ 211.07584142 143.7
[M]- 211.07693858 143.7
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.