CID 155977701

[7-(tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]methanol

Structural Information

Molecular Formula
C17H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=CC(=C3)CO
InChI
InChI=1S/C17H21BO3/c1-16(2)17(3,4)21-18(20-16)15-8-7-13-6-5-12(11-19)9-14(13)10-15/h5-10,19H,11H2,1-4H3
InChIKey
XJCHGPAZOHVBDW-UHFFFAOYSA-N
Compound name
[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16568 163.1
[M+Na]+ 307.14762 173.0
[M-H]- 283.15112 171.6
[M+NH4]+ 302.19222 183.2
[M+K]+ 323.12156 171.3
[M+H-H2O]+ 267.15566 157.9
[M+HCOO]- 329.15660 181.3
[M+CH3COO]- 343.17225 176.3
[M+Na-2H]- 305.13307 168.6
[M]+ 284.15785 166.5
[M]- 284.15895 166.5
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.