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

7
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

literature stripe

Patent stripe

patents stripe