CID 283027

(6,7-dimethoxynaphthalen-2-yl)methanol

Structural Information

Molecular Formula
C13H14O3
SMILES
COC1=C(C=C2C=C(C=CC2=C1)CO)OC
InChI
InChI=1S/C13H14O3/c1-15-12-6-10-4-3-9(8-14)5-11(10)7-13(12)16-2/h3-7,14H,8H2,1-2H3
InChIKey
QKZXZJRJQRDIID-UHFFFAOYSA-N
Compound name
(6,7-dimethoxynaphthalen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

218.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 145.6
[M+Na]+ 241.08352 155.0
[M-H]- 217.08702 149.5
[M+NH4]+ 236.12812 165.2
[M+K]+ 257.05746 152.2
[M+H-H2O]+ 201.09156 139.7
[M+HCOO]- 263.09250 167.9
[M+CH3COO]- 277.10815 187.8
[M+Na-2H]- 239.06897 152.5
[M]+ 218.09375 149.4
[M]- 218.09485 149.4
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