CID 34793

30074-73-8

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

CNC1CCCC2=C(C=CC(=C12)Cl)OC

InChI

InChI=1S/C12H16ClNO/c1-14-10-5-3-4-8-11(15-2)7-6-9(13)12(8)10/h6-7,10,14H,3-5H2,1-2H3

InChIKey

ZUUXQKLPCWQSDW-UHFFFAOYSA-N

Compound name

8-chloro-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 225.09204 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.09932	148.2
[M+Na]+	248.08126	156.4
[M-H]-	224.08476	152.4
[M+NH4]+	243.12586	168.6
[M+K]+	264.05520	152.0
[M+H-H2O]+	208.08930	143.0
[M+HCOO]-	270.09024	165.4
[M+CH3COO]-	284.10589	192.5
[M+Na-2H]-	246.06671	153.7
[M]+	225.09149	149.0
[M]-	225.09259	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe