CID 83140333

2246652-50-4

Structural Information

Molecular Formula
C11H15BO3
SMILES
B(C1=C(C=C(C=C1)OCC2CC2)C)(O)O
InChI
InChI=1S/C11H15BO3/c1-8-6-10(15-7-9-2-3-9)4-5-11(8)12(13)14/h4-6,9,13-14H,2-3,7H2,1H3
InChIKey
QOVMKQGCSABGEE-UHFFFAOYSA-N
Compound name
[4-(cyclopropylmethoxy)-2-methylphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11870 140.1
[M+Na]+ 229.10064 148.9
[M-H]- 205.10414 145.4
[M+NH4]+ 224.14524 153.4
[M+K]+ 245.07458 145.4
[M+H-H2O]+ 189.10868 134.1
[M+HCOO]- 251.10962 161.1
[M+CH3COO]- 265.12527 185.6
[M+Na-2H]- 227.08609 144.3
[M]+ 206.11087 143.1
[M]- 206.11197 143.1
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.