CID 16582

2173-57-1

Structural Information

Molecular Formula
C14H16O
SMILES
CC(C)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
InChIKey
XOHIHZHSDMWWMS-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxy)naphthalene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1749
Patents

200.12012 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.127396 144.4
[M+Na]+ 223.109338 151.7
[M-H]- 199.112844 148.8
[M+NH4]+ 218.153943 164.8
[M+K]+ 239.083278 148.8
[M+H-H2O]+ 183.117380 138.1
[M+HCOO]- 245.118321 166.4
[M+CH3COO]- 259.133971 187.9
[M+Na-2H]- 221.094786 151.3
[M]+ 200.11957142 146.0
[M]- 200.12066858 146.0
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