CID 54122053

1-(6-methoxynaphthalen-2-yl)propan-2-ol

Structural Information

Molecular Formula
C14H16O2
SMILES
CC(CC1=CC2=C(C=C1)C=C(C=C2)OC)O
InChI
InChI=1S/C14H16O2/c1-10(15)7-11-3-4-13-9-14(16-2)6-5-12(13)8-11/h3-6,8-10,15H,7H2,1-2H3
InChIKey
NOJXSJQHHXNLHP-UHFFFAOYSA-N
Compound name
1-(6-methoxynaphthalen-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 147.8
[M+Na]+ 239.104258 155.5
[M-H]- 215.107764 151.1
[M+NH4]+ 234.148863 167.1
[M+K]+ 255.078198 152.4
[M+H-H2O]+ 199.112300 141.7
[M+HCOO]- 261.113241 168.5
[M+CH3COO]- 275.128891 188.4
[M+Na-2H]- 237.089706 153.5
[M]+ 216.11449142 149.4
[M]- 216.11558858 149.4
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