CID 3048499

63907-36-8

Structural Information

Molecular Formula
C16H22ClNO
SMILES
COC1=C2CCCC(C2=C(C=C1)Cl)N3CCCCC3
InChI
InChI=1S/C16H22ClNO/c1-19-15-9-8-13(17)16-12(15)6-5-7-14(16)18-10-3-2-4-11-18/h8-9,14H,2-7,10-11H2,1H3
InChIKey
HEHINHOBCNRNOV-UHFFFAOYSA-N
Compound name
1-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13898 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14626 165.7
[M+Na]+ 302.12820 171.1
[M-H]- 278.13170 170.2
[M+NH4]+ 297.17280 182.0
[M+K]+ 318.10214 165.7
[M+H-H2O]+ 262.13624 157.5
[M+HCOO]- 324.13718 176.1
[M+CH3COO]- 338.15283 175.6
[M+Na-2H]- 300.11365 167.9
[M]+ 279.13843 162.1
[M]- 279.13953 162.1
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.