CID 10911373

65726-24-1

Structural Information

Molecular Formula
C15H18O2
SMILES
CC(CCC1=CC2=C(C=C1)C=C(C=C2)OC)O
InChI
InChI=1S/C15H18O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-11,16H,3-4H2,1-2H3
InChIKey
JNVOSYBERVWSGY-UHFFFAOYSA-N
Compound name
4-(6-methoxynaphthalen-2-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

20
Patents

230.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.137956 152.5
[M+Na]+ 253.119898 159.8
[M-H]- 229.123404 155.7
[M+NH4]+ 248.164503 171.2
[M+K]+ 269.093838 156.4
[M+H-H2O]+ 213.127940 146.3
[M+HCOO]- 275.128881 172.9
[M+CH3COO]- 289.144531 191.4
[M+Na-2H]- 251.105346 157.7
[M]+ 230.13013142 154.5
[M]- 230.13122858 154.5
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