CID 90324

23981-48-8

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)OC

InChI

InChI=1S/C14H14O3/c1-16-13-6-5-11-7-10(8-14(15)17-2)3-4-12(11)9-13/h3-7,9H,8H2,1-2H3

InChIKey

NWIMPGMAVYLECN-UHFFFAOYSA-N

Compound name

methyl 2-(6-methoxynaphthalen-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 230.0943 Da
Monoisotopic Mass: 3.0
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	149.3
[M+Na]+	253.083518	157.8
[M-H]-	229.087024	154.2
[M+NH4]+	248.128123	168.7
[M+K]+	269.057458	155.6
[M+H-H2O]+	213.091560	142.9
[M+HCOO]-	275.092501	172.0
[M+CH3COO]-	289.108151	191.5
[M+Na-2H]-	251.068966	155.6
[M]+	230.09375142	153.5
[M]-	230.09484858	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe