CID 155582

Ns00122168

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

C[C@@H](C1=CC2=C(C=C1)C(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C14H14O3/c1-9(14(15)16)10-6-7-12-11(8-10)4-3-5-13(12)17-2/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1

InChIKey

ICRSDYDMKBXRSR-VIFPVBQESA-N

Compound name

(2S)-2-(5-methoxynaphthalen-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 230.0943 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.101576	149.6
[M+Na]+	253.083518	157.2
[M-H]-	229.087024	153.0
[M+NH4]+	248.128123	168.0
[M+K]+	269.057458	154.6
[M+H-H2O]+	213.091560	143.5
[M+HCOO]-	275.092501	169.7
[M+CH3COO]-	289.108151	190.6
[M+Na-2H]-	251.068966	154.1
[M]+	230.09375142	151.3
[M]-	230.09484858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe