CID 3023663

2-methoxy-6-propylnaphthalene

Structural Information

Molecular Formula
C14H16O
SMILES
CCCC1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C14H16O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h5-10H,3-4H2,1-2H3
InChIKey
DEMSTJLFNCGWTN-UHFFFAOYSA-N
Compound name
2-methoxy-6-propylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

200.12012 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.127396 143.6
[M+Na]+ 223.109338 152.2
[M-H]- 199.112844 148.3
[M+NH4]+ 218.153943 164.4
[M+K]+ 239.083278 148.9
[M+H-H2O]+ 183.117380 137.4
[M+HCOO]- 245.118321 166.7
[M+CH3COO]- 259.133971 188.1
[M+Na-2H]- 221.094786 151.1
[M]+ 200.11957142 146.3
[M]- 200.12066858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe