CID 13491498

73721-17-2

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

CC1=C(C=CC2=CC=CC=C12)C(=O)OC

InChI

InChI=1S/C13H12O2/c1-9-11-6-4-3-5-10(11)7-8-12(9)13(14)15-2/h3-8H,1-2H3

InChIKey

RJCOLHYGLMOBPX-UHFFFAOYSA-N

Compound name

methyl 1-methylnaphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 200.08372 Da
Monoisotopic Mass: 3.4
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]+	201.090996	141.2
[M+Na]+	223.072938	150.3
[M-H]-	199.076444	146.3
[M+NH4]+	218.117543	161.9
[M+K]+	239.046878	147.7
[M+H-H2O]+	183.080980	135.2
[M+HCOO]-	245.081921	164.1
[M+CH3COO]-	259.097571	186.5
[M+Na-2H]-	221.058386	148.0
[M]+	200.08317142	143.6
[M]-	200.08426858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe