CID 23005415

(5,6,7,8-tetrahydronaphthalen-1-yl)boronic acid

Structural Information

Molecular Formula
C10H13BO2
SMILES
B(C1=C2CCCCC2=CC=C1)(O)O
InChI
InChI=1S/C10H13BO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,12-13H,1-2,4,6H2
InChIKey
JJWLFSUJMPKCKA-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalen-1-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

176.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10814 135.6
[M+Na]+ 199.09008 141.3
[M-H]- 175.09358 136.9
[M+NH4]+ 194.13468 155.3
[M+K]+ 215.06402 138.4
[M+H-H2O]+ 159.09812 130.3
[M+HCOO]- 221.09906 153.0
[M+CH3COO]- 235.11471 175.7
[M+Na-2H]- 197.07553 141.4
[M]+ 176.10031 131.0
[M]- 176.10141 131.0
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