CID 86142511

1,6-dimethyl-3-ethylnaphthalene

Structural Information

Molecular Formula

C₁₄H₁₆

SMILES

CCC1=CC2=C(C=CC(=C2)C)C(=C1)C

InChI

InChI=1S/C14H16/c1-4-12-8-11(3)14-6-5-10(2)7-13(14)9-12/h5-9H,4H2,1-3H3

InChIKey

ZSKPSOWYPDQNMJ-UHFFFAOYSA-N

Compound name

3-ethyl-1,6-dimethylnaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.1252 Da
Monoisotopic Mass: 5.2
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]+	185.132476	139.3
[M+Na]+	207.114418	148.9
[M-H]-	183.117924	144.5
[M+NH4]+	202.159023	161.2
[M+K]+	223.088358	145.1
[M+H-H2O]+	167.122460	133.6
[M+HCOO]-	229.123401	162.2
[M+CH3COO]-	243.139051	187.3
[M+Na-2H]-	205.099866	146.1
[M]+	184.12465142	140.9
[M]-	184.12574858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe