CID 57416253

(2,2-dimethylcyclopropyl)boronic acid

Structural Information

Molecular Formula
C5H11BO2
SMILES
B(C1CC1(C)C)(O)O
InChI
InChI=1S/C5H11BO2/c1-5(2)3-4(5)6(7)8/h4,7-8H,3H2,1-2H3
InChIKey
JKKPTKXTGDWIQJ-UHFFFAOYSA-N
Compound name
(2,2-dimethylcyclopropyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

114.08521 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.09249 120.4
[M+Na]+ 137.07443 130.3
[M-H]- 113.07793 123.3
[M+NH4]+ 132.11903 139.3
[M+K]+ 153.04837 129.0
[M+H-H2O]+ 97.082470 117.1
[M+HCOO]- 159.08341 140.9
[M+CH3COO]- 173.09906 169.2
[M+Na-2H]- 135.05988 126.8
[M]+ 114.08466 122.4
[M]- 114.08576 122.4
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