CID 3074469

Alpha-cyclohexyl-6-(pentyloxy)-2-naphthalenemethanol

Structural Information

Molecular Formula
C22H30O2
SMILES
CCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(C3CCCCC3)O
InChI
InChI=1S/C22H30O2/c1-2-3-7-14-24-21-13-12-18-15-20(11-10-19(18)16-21)22(23)17-8-5-4-6-9-17/h10-13,15-17,22-23H,2-9,14H2,1H3
InChIKey
QYTIEWDAMWHASZ-UHFFFAOYSA-N
Compound name
cyclohexyl-(6-pentoxynaphthalen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.22458 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.23186 181.9
[M+Na]+ 349.21380 184.2
[M-H]- 325.21730 186.0
[M+NH4]+ 344.25840 195.7
[M+K]+ 365.18774 179.1
[M+H-H2O]+ 309.22184 173.2
[M+HCOO]- 371.22278 196.7
[M+CH3COO]- 385.23843 209.2
[M+Na-2H]- 347.19925 182.6
[M]+ 326.22403 179.1
[M]- 326.22513 179.1
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

No patent data available for this compound.