CID 9834528

(s)-2-methoxy-2-(1-naphthyl)propanoic acid

Structural Information

Molecular Formula
C14H14O3
SMILES
C[C@](C1=CC=CC2=CC=CC=C21)(C(=O)O)OC
InChI
InChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)/t14-/m0/s1
InChIKey
YVWMPILNFZOQSZ-AWEZNQCLSA-N
Compound name
(2S)-2-methoxy-2-naphthalen-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

244
Patents

230.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10158 150.1
[M+Na]+ 253.08352 157.6
[M-H]- 229.08702 153.4
[M+NH4]+ 248.12812 168.5
[M+K]+ 269.05746 154.9
[M+H-H2O]+ 213.09156 144.4
[M+HCOO]- 275.09250 169.7
[M+CH3COO]- 289.10815 188.8
[M+Na-2H]- 251.06897 157.4
[M]+ 230.09375 151.7
[M]- 230.09485 151.7
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