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
2
Annotation Hits

0
References

208
Patents

200.12012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.127396 144.7
[M+Na]+ 223.109338 152.9
[M-H]- 199.112844 149.4
[M+NH4]+ 218.153943 165.4
[M+K]+ 239.083278 150.0
[M+H-H2O]+ 183.117380 138.9
[M+HCOO]- 245.118321 166.2
[M+CH3COO]- 259.133971 186.7
[M+Na-2H]- 221.094786 153.5
[M]+ 200.11957142 146.4
[M]- 200.12066858 146.4
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