CID 16149

6-hexylnaphthalen-2-ol

Structural Information

Molecular Formula
C16H20O
SMILES
CCCCCCC1=CC2=C(C=C1)C=C(C=C2)O
InChI
InChI=1S/C16H20O/c1-2-3-4-5-6-13-7-8-15-12-16(17)10-9-14(15)11-13/h7-12,17H,2-6H2,1H3
InChIKey
YLSRNLBJYQACQD-UHFFFAOYSA-N
Compound name
6-hexylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

228.15141 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15869 153.5
[M+Na]+ 251.14063 160.8
[M-H]- 227.14413 156.4
[M+NH4]+ 246.18523 172.4
[M+K]+ 267.11457 156.0
[M+H-H2O]+ 211.14867 147.2
[M+HCOO]- 273.14961 174.3
[M+CH3COO]- 287.16526 191.5
[M+Na-2H]- 249.12608 159.3
[M]+ 228.15086 155.0
[M]- 228.15196 155.0
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