CID 82664

2-butoxynaphthalene

Structural Information

Molecular Formula
C14H16O
SMILES
CCCCOC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H16O/c1-2-3-10-15-14-9-8-12-6-4-5-7-13(12)11-14/h4-9,11H,2-3,10H2,1H3
InChIKey
CDMIQAIIIBPTRK-UHFFFAOYSA-N
Compound name
2-butoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

448
Patents

200.12012 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.127396 144.0
[M+Na]+ 223.109338 151.7
[M-H]- 199.112844 148.3
[M+NH4]+ 218.153943 164.5
[M+K]+ 239.083278 148.3
[M+H-H2O]+ 183.117380 137.6
[M+HCOO]- 245.118321 167.1
[M+CH3COO]- 259.133971 187.0
[M+Na-2H]- 221.094786 152.1
[M]+ 200.11957142 146.2
[M]- 200.12066858 146.2
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