CID 44886920

4-ethylcyclohexen-1-ylboronic acid

Structural Information

Molecular Formula
C8H15BO2
SMILES
B(C1=CCC(CC1)CC)(O)O
InChI
InChI=1S/C8H15BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h5,7,10-11H,2-4,6H2,1H3
InChIKey
NCXGOXGWYXCMKH-UHFFFAOYSA-N
Compound name
(4-ethylcyclohexen-1-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

154.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.12380 133.4
[M+Na]+ 177.10574 138.6
[M-H]- 153.10924 133.8
[M+NH4]+ 172.15034 153.1
[M+K]+ 193.07968 136.9
[M+H-H2O]+ 137.11378 128.5
[M+HCOO]- 199.11472 151.6
[M+CH3COO]- 213.13037 172.2
[M+Na-2H]- 175.09119 136.9
[M]+ 154.11597 129.2
[M]- 154.11707 129.2
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