CID 2760897

Cyclopropylboronic acid

Structural Information

Molecular Formula
C3H7BO2
SMILES
B(C1CC1)(O)O
InChI
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
InChIKey
WLVKDFJTYKELLQ-UHFFFAOYSA-N
Compound name
cyclopropylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

25923
Patents

86.05391 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.061186 112.2
[M+Na]+ 109.04313 121.2
[M-H]- 85.046634 114.6
[M+NH4]+ 104.08773 129.8
[M+K]+ 125.01707 119.7
[M+H-H2O]+ 69.051170 107.5
[M+HCOO]- 131.05211 133.7
[M+CH3COO]- 145.06776 162.7
[M+Na-2H]- 107.02858 119.1
[M]+ 86.053361 112.5
[M]- 86.054459 112.5
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