CID 7055

2-methylnaphthalene

Structural Information

Molecular Formula

C₁₁H₁₀

SMILES

CC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3

InChIKey

QIMMUPPBPVKWKM-UHFFFAOYSA-N

Compound name

2-methylnaphthalene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 192
References: 41091
Patents: 142.07825 Da
Monoisotopic Mass: 3.9
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]+	143.08553	125.9
[M+Na]+	165.06747	135.0
[M-H]-	141.07097	130.9
[M+NH4]+	160.11207	148.9
[M+K]+	181.04141	131.9
[M+H-H2O]+	125.07551	120.5
[M+HCOO]-	187.07645	149.9
[M+CH3COO]-	201.09210	140.8
[M+Na-2H]-	163.05292	135.9
[M]+	142.07770	125.8
[M]-	142.07880	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe