CID 3511501

34352-83-5

Structural Information

Molecular Formula
C14H16O2
SMILES
CC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)O
InChI
InChI=1S/C14H16O2/c1-14(2,15)12-6-4-11-9-13(16-3)7-5-10(11)8-12/h4-9,15H,1-3H3
InChIKey
JBFSELUOSSTETM-UHFFFAOYSA-N
Compound name
2-(6-methoxynaphthalen-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

216.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 148.0
[M+Na]+ 239.104258 156.5
[M-H]- 215.107764 151.6
[M+NH4]+ 234.148863 167.5
[M+K]+ 255.078198 153.4
[M+H-H2O]+ 199.112300 142.5
[M+HCOO]- 261.113241 168.2
[M+CH3COO]- 275.128891 187.9
[M+Na-2H]- 237.089706 155.7
[M]+ 216.11449142 149.8
[M]- 216.11558858 149.8
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