CID 13393711

O-desmethylnaproxen

Structural Information

Molecular Formula
C13H12O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1
InChIKey
XWJUDDGELKXYNO-QMMMGPOBSA-N
Compound name
(2S)-2-(6-hydroxynaphthalen-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

216
Patents

216.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.8
[M+Na]+ 239.06786 158.6
[M+NH4]+ 234.11246 153.8
[M+K]+ 255.04180 153.1
[M-H]- 215.07136 147.2
[M+Na-2H]- 237.05331 151.3
[M]+ 216.07809 147.9
[M]- 216.07919 147.9
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