CID 160195

Heptyl-2-naphthol

Structural Information

Molecular Formula
C17H22O
SMILES
CCCCCCCC1=C(C=CC2=CC=CC=C21)O
InChI
InChI=1S/C17H22O/c1-2-3-4-5-6-11-16-15-10-8-7-9-14(15)12-13-17(16)18/h7-10,12-13,18H,2-6,11H2,1H3
InChIKey
ROOZGFKDNMRTJN-UHFFFAOYSA-N
Compound name
1-heptylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

242.16707 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17435 158.1
[M+Na]+ 265.15629 172.3
[M+NH4]+ 260.20089 167.5
[M+K]+ 281.13023 162.9
[M-H]- 241.15979 161.7
[M+Na-2H]- 263.14174 165.0
[M]+ 242.16652 161.3
[M]- 242.16762 161.3
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