CID 656886

Naphthyl-2-methyl-succinate

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

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

InChI

InChI=1S/C15H14O4/c16-14(17)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9H2,(H,16,17)(H,18,19)

InChIKey

PYGFLAQSMTXFMU-UHFFFAOYSA-N

Compound name

2-(naphthalen-2-ylmethyl)butanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5
Patents: 258.0892 Da
Monoisotopic Mass: 2.5
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]+	259.096476	156.8
[M+Na]+	281.078418	162.5
[M-H]-	257.081924	158.2
[M+NH4]+	276.123023	172.7
[M+K]+	297.052358	159.3
[M+H-H2O]+	241.086460	150.5
[M+HCOO]-	303.087401	174.4
[M+CH3COO]-	317.103051	192.2
[M+Na-2H]-	279.063866	159.9
[M]+	258.08865142	156.7
[M]-	258.08974858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe