CID 23005365

2-methylbenzeneboronic acid, propanediol cyclic ester

Structural Information

Molecular Formula
C10H13BO2
SMILES
B1(OCCCO1)C2=CC=CC=C2C
InChI
InChI=1S/C10H13BO2/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11/h2-3,5-6H,4,7-8H2,1H3
InChIKey
UIDYFYHQHHMEKA-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

176.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10814 135.5
[M+Na]+ 199.09008 141.6
[M-H]- 175.09358 143.1
[M+NH4]+ 194.13468 152.9
[M+K]+ 215.06402 142.3
[M+H-H2O]+ 159.09812 129.0
[M+HCOO]- 221.09906 155.4
[M+CH3COO]- 235.11471 178.7
[M+Na-2H]- 197.07553 143.6
[M]+ 176.10031 133.8
[M]- 176.10141 133.8
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