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

11
Patents

216.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 145.8
[M+Na]+ 239.067858 152.5
[M-H]- 215.071364 147.6
[M+NH4]+ 234.112463 163.8
[M+K]+ 255.041798 149.2
[M+H-H2O]+ 199.075900 140.0
[M+HCOO]- 261.076841 164.7
[M+CH3COO]- 275.092491 183.9
[M+Na-2H]- 237.053306 151.1
[M]+ 216.07809142 144.9
[M]- 216.07918858 144.9
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