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]+ 212.08367 144.2
[M+Na]+ 234.06561 152.9
[M-H]- 210.06911 148.1
[M+NH4]+ 229.11021 164.9
[M+K]+ 250.03955 148.4
[M+H-H2O]+ 194.07365 139.3
[M+HCOO]- 256.07459 161.1
[M+CH3COO]- 270.09024 188.9
[M+Na-2H]- 232.05106 149.2
[M]+ 211.07584 143.7
[M]- 211.07694 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.