CID 3032818

Naproxol

Structural Information

Molecular Formula
C14H16O2
SMILES
C[C@H](CO)C1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C14H16O2/c1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11/h3-8,10,15H,9H2,1-2H3/t10-/m1/s1
InChIKey
LTRANDSQVZFZDG-SNVBAGLBSA-N
Compound name
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

4469
Patents

216.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 147.8
[M+Na]+ 239.104258 155.5
[M-H]- 215.107764 151.1
[M+NH4]+ 234.148863 167.1
[M+K]+ 255.078198 152.4
[M+H-H2O]+ 199.112300 141.7
[M+HCOO]- 261.113241 168.5
[M+CH3COO]- 275.128891 188.4
[M+Na-2H]- 237.089706 153.5
[M]+ 216.11449142 149.4
[M]- 216.11558858 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe