CID 443778

1,8-dihydroxy-3-methylnaphthalene

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1=CC2=C(C(=CC=C2)O)C(=C1)O
InChI
InChI=1S/C11H10O2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6,12-13H,1H3
InChIKey
MXAXVWCKFBLVSU-UHFFFAOYSA-N
Compound name
3-methylnaphthalene-1,8-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

174.06808 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 133.9
[M+Na]+ 197.05730 148.7
[M+NH4]+ 192.10190 143.4
[M+K]+ 213.03124 141.8
[M-H]- 173.06080 136.7
[M+Na-2H]- 195.04275 141.1
[M]+ 174.06753 136.9
[M]- 174.06863 136.9
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

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