CID 44119556

4-methylcyclohexen-1-ylboronic acid

Structural Information

Molecular Formula
C7H13BO2
SMILES
B(C1=CCC(CC1)C)(O)O
InChI
InChI=1S/C7H13BO2/c1-6-2-4-7(5-3-6)8(9)10/h4,6,9-10H,2-3,5H2,1H3
InChIKey
SJZMIZIVYIOMIW-UHFFFAOYSA-N
Compound name
(4-methylcyclohexen-1-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

140.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10814 128.8
[M+Na]+ 163.09008 134.4
[M-H]- 139.09358 129.4
[M+NH4]+ 158.13468 149.1
[M+K]+ 179.06402 133.0
[M+H-H2O]+ 123.09812 124.1
[M+HCOO]- 185.09906 147.3
[M+CH3COO]- 199.11471 169.1
[M+Na-2H]- 161.07553 132.8
[M]+ 140.10031 124.3
[M]- 140.10141 124.3
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