CID 737159

2-methyl-2-(2-naphthyloxy)propanoic acid

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

CC(C)(C(=O)O)OC1=CC2=CC=CC=C2C=C1

InChI

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

InChIKey

RVAWSQIHNATWNO-UHFFFAOYSA-N

Compound name

2-methyl-2-naphthalen-2-yloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 230.0943 Da
Monoisotopic Mass: 3.7
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	150.1
[M+Na]+	253.083518	157.6
[M-H]-	229.087024	153.4
[M+NH4]+	248.128123	168.5
[M+K]+	269.057458	154.9
[M+H-H2O]+	213.091560	144.4
[M+HCOO]-	275.092501	169.7
[M+CH3COO]-	289.108151	188.8
[M+Na-2H]-	251.068966	157.4
[M]+	230.09375142	151.7
[M]-	230.09484858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe