CID 170831

1-(tert-butoxy)naphthalene

Structural Information

Molecular Formula
C14H16O
SMILES
CC(C)(C)OC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H16O/c1-14(2,3)15-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKey
CQTPIJQVFIVEGT-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxy]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

200.12012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12740 144.6
[M+Na]+ 223.10934 159.4
[M+NH4]+ 218.15394 154.8
[M+K]+ 239.08328 151.4
[M-H]- 199.11284 148.2
[M+Na-2H]- 221.09479 153.1
[M]+ 200.11957 148.1
[M]- 200.12067 148.1
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