CID 53764377

[2-(methoxymethoxy)naphthalen-1-yl]boronic acid

Structural Information

Molecular Formula
C12H13BO4
SMILES
B(C1=C(C=CC2=CC=CC=C12)OCOC)(O)O
InChI
InChI=1S/C12H13BO4/c1-16-8-17-11-7-6-9-4-2-3-5-10(9)12(11)13(14)15/h2-7,14-15H,8H2,1H3
InChIKey
DKEKMKFVZBIKOO-UHFFFAOYSA-N
Compound name
[2-(methoxymethoxy)naphthalen-1-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

232.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09796 147.7
[M+Na]+ 255.07990 155.2
[M-H]- 231.08340 149.7
[M+NH4]+ 250.12450 165.4
[M+K]+ 271.05384 152.8
[M+H-H2O]+ 215.08794 141.6
[M+HCOO]- 277.08888 167.7
[M+CH3COO]- 291.10453 186.5
[M+Na-2H]- 253.06535 153.8
[M]+ 232.09013 150.0
[M]- 232.09123 150.0
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