CID 49823708

Schembl15655519

Structural Information

Molecular Formula
C18H21NO2
SMILES
COC(=O)C(C1CCCCN1)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H21NO2/c1-21-18(20)17(16-8-4-5-11-19-16)15-10-9-13-6-2-3-7-14(13)12-15/h2-3,6-7,9-10,12,16-17,19H,4-5,8,11H2,1H3
InChIKey
DNRNSIJBSCBESJ-UHFFFAOYSA-N
Compound name
methyl 2-naphthalen-2-yl-2-piperidin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

283.15723 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.2
[M+Na]+ 306.146448 170.3
[M-H]- 282.149954 170.4
[M+NH4]+ 301.191053 181.0
[M+K]+ 322.120388 165.9
[M+H-H2O]+ 266.154490 158.4
[M+HCOO]- 328.155431 181.3
[M+CH3COO]- 342.171081 198.3
[M+Na-2H]- 304.131896 169.7
[M]+ 283.15668142 161.8
[M]- 283.15777858 161.8
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.