CID 160195

31215-04-0

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
2
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 158.2
[M+Na]+ 265.15629 165.0
[M-H]- 241.15979 160.9
[M+NH4]+ 260.20089 176.5
[M+K]+ 281.13023 160.0
[M+H-H2O]+ 225.16433 151.6
[M+HCOO]- 287.16527 178.7
[M+CH3COO]- 301.18092 194.5
[M+Na-2H]- 263.14174 163.4
[M]+ 242.16652 160.0
[M]- 242.16762 160.0
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