CID 656869

8-methylnaphthalene-1,2-diol

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1=C2C(=CC=C1)C=CC(=C2O)O
InChI
InChI=1S/C11H10O2/c1-7-3-2-4-8-5-6-9(12)11(13)10(7)8/h2-6,12-13H,1H3
InChIKey
KYYXBLAPBDWXFX-UHFFFAOYSA-N
Compound name
8-methylnaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

174.06808 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 133.5
[M+Na]+ 197.05730 143.4
[M-H]- 173.06080 136.4
[M+NH4]+ 192.10190 154.2
[M+K]+ 213.03124 139.6
[M+H-H2O]+ 157.06534 128.6
[M+HCOO]- 219.06628 154.8
[M+CH3COO]- 233.08193 177.1
[M+Na-2H]- 195.04275 141.0
[M]+ 174.06753 133.3
[M]- 174.06863 133.3
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.