CID 36396

Na-143

Structural Information

Molecular Formula
C17H23NO2
SMILES
COC1=CC2=C(C=C1)C(=O)C(CC2)CN3CCCCC3
InChI
InChI=1S/C17H23NO2/c1-20-15-7-8-16-13(11-15)5-6-14(17(16)19)12-18-9-3-2-4-10-18/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKey
IAIPCBDGCXSCGJ-UHFFFAOYSA-N
Compound name
6-methoxy-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

273.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.3
[M+Na]+ 296.16210 169.7
[M-H]- 272.16560 169.9
[M+NH4]+ 291.20670 180.8
[M+K]+ 312.13604 165.7
[M+H-H2O]+ 256.17014 156.3
[M+HCOO]- 318.17108 180.3
[M+CH3COO]- 332.18673 199.8
[M+Na-2H]- 294.14755 167.6
[M]+ 273.17233 160.6
[M]- 273.17343 160.6
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

patents stripe