CID 9834370

413622-17-0

Structural Information

Molecular Formula
C13H12O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)O)O
InChI
InChI=1S/C13H12O3/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12,14H,8H2,(H,15,16)/t12-/m0/s1
InChIKey
ZKBPQCNXIPSZNO-LBPRGKRZSA-N
Compound name
(2S)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

216.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 146.2
[M+Na]+ 239.06786 158.6
[M+NH4]+ 234.11246 154.2
[M+K]+ 255.04180 152.9
[M-H]- 215.07136 147.5
[M+Na-2H]- 237.05331 151.9
[M]+ 216.07809 148.2
[M]- 216.07919 148.2
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