CID 121006717

5,7-dimethylnaphthalen-2-ol

Structural Information

Molecular Formula
C12H12O
SMILES
CC1=CC(=C2C=CC(=CC2=C1)O)C
InChI
InChI=1S/C12H12O/c1-8-5-9(2)12-4-3-11(13)7-10(12)6-8/h3-7,13H,1-2H3
InChIKey
PWLJRJQJZLJULV-UHFFFAOYSA-N
Compound name
5,7-dimethylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.08882 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 134.1
[M+Na]+ 195.07804 144.2
[M-H]- 171.08154 138.3
[M+NH4]+ 190.12264 155.7
[M+K]+ 211.05198 140.5
[M+H-H2O]+ 155.08608 129.0
[M+HCOO]- 217.08702 156.4
[M+CH3COO]- 231.10267 180.6
[M+Na-2H]- 193.06349 141.6
[M]+ 172.08827 134.7
[M]- 172.08937 134.7
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

No patent data available for this compound.