CID 3014977

1,6-dimethylnaphthalen-2-ol

Structural Information

Molecular Formula
C12H12O
SMILES
CC1=CC2=C(C=C1)C(=C(C=C2)O)C
InChI
InChI=1S/C12H12O/c1-8-3-5-11-9(2)12(13)6-4-10(11)7-8/h3-7,13H,1-2H3
InChIKey
GGOOECAXBGGRCW-UHFFFAOYSA-N
Compound name
1,6-dimethylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

172.08882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 134.6
[M+Na]+ 195.07804 150.3
[M+NH4]+ 190.12264 144.9
[M+K]+ 211.05198 142.3
[M-H]- 171.08154 138.5
[M+Na-2H]- 193.06349 142.7
[M]+ 172.08827 138.2
[M]- 172.08937 138.2
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