CID 2763299

2,2-dimethylethenylboronic acid

Structural Information

Molecular Formula
C4H9BO2
SMILES
B(C=C(C)C)(O)O
InChI
InChI=1S/C4H9BO2/c1-4(2)3-5(6)7/h3,6-7H,1-2H3
InChIKey
FWJRSOGVYOIVOC-UHFFFAOYSA-N
Compound name
2-methylprop-1-enylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

405
Patents

100.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07684 119.4
[M+Na]+ 123.05878 126.2
[M-H]- 99.062284 117.3
[M+NH4]+ 118.10338 141.4
[M+K]+ 139.03272 125.7
[M+H-H2O]+ 83.066820 115.8
[M+HCOO]- 145.06776 139.3
[M+CH3COO]- 159.08341 162.2
[M+Na-2H]- 121.04423 123.6
[M]+ 100.06901 117.2
[M]- 100.07011 117.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe