CID 3017163

2,6-diethylnaphthalene

Structural Information

Molecular Formula
C14H16
SMILES
CCC1=CC2=C(C=C1)C=C(C=C2)CC
InChI
InChI=1S/C14H16/c1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11/h5-10H,3-4H2,1-2H3
InChIKey
CJJFFBINNGWEBO-UHFFFAOYSA-N
Compound name
2,6-diethylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

626
Patents

184.1252 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.13248 139.9
[M+Na]+ 207.11442 148.6
[M-H]- 183.11792 144.6
[M+NH4]+ 202.15902 161.4
[M+K]+ 223.08836 144.7
[M+H-H2O]+ 167.12246 134.0
[M+HCOO]- 229.12340 162.8
[M+CH3COO]- 243.13905 186.2
[M+Na-2H]- 205.09987 147.4
[M]+ 184.12465 141.1
[M]- 184.12575 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe