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

21
Patents

218.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.101576 145.6
[M+Na]+ 241.083518 155.0
[M-H]- 217.087024 149.5
[M+NH4]+ 236.128123 165.2
[M+K]+ 257.057458 152.2
[M+H-H2O]+ 201.091560 139.7
[M+HCOO]- 263.092501 167.9
[M+CH3COO]- 277.108151 187.8
[M+Na-2H]- 239.068966 152.5
[M]+ 218.09375142 149.4
[M]- 218.09484858 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