CID 3084827

4-isopropoxy-1-naphthol

Structural Information

Molecular Formula
C13H14O2
SMILES
CC(C)OC1=CC=C(C2=CC=CC=C21)O
InChI
InChI=1S/C13H14O2/c1-9(2)15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-9,14H,1-2H3
InChIKey
WMVPFEQOLJSBDR-UHFFFAOYSA-N
Compound name
4-propan-2-yloxynaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

202.09938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10666 143.0
[M+Na]+ 225.08860 151.2
[M-H]- 201.09210 146.6
[M+NH4]+ 220.13320 162.9
[M+K]+ 241.06254 148.3
[M+H-H2O]+ 185.09664 137.2
[M+HCOO]- 247.09758 164.1
[M+CH3COO]- 261.11323 185.4
[M+Na-2H]- 223.07405 149.3
[M]+ 202.09883 144.3
[M]- 202.09993 144.3
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