CID 14315

1-ethylnaphthalene

Structural Information

Molecular Formula
C12H12
SMILES
CCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
InChIKey
ZMXIYERNXPIYFR-UHFFFAOYSA-N
Compound name
1-ethylnaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

17876
Patents

156.0939 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.10118 131.5
[M+Na]+ 179.08312 147.5
[M+NH4]+ 174.12772 142.8
[M+K]+ 195.05706 138.3
[M-H]- 155.08662 136.3
[M+Na-2H]- 177.06857 141.1
[M]+ 156.09335 135.4
[M]- 156.09445 135.4
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