CID 15568382

2-butylboronic acid

Structural Information

Molecular Formula
C4H11BO2
SMILES
B(C(C)CC)(O)O
InChI
InChI=1S/C4H11BO2/c1-3-4(2)5(6)7/h4,6-7H,3H2,1-2H3
InChIKey
MACOIFNUPFKZEI-UHFFFAOYSA-N
Compound name
butan-2-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

102.08521 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.09249 120.8
[M+Na]+ 125.07443 127.2
[M-H]- 101.07793 118.5
[M+NH4]+ 120.11903 142.7
[M+K]+ 141.04837 127.3
[M+H-H2O]+ 85.082470 117.0
[M+HCOO]- 147.08341 140.4
[M+CH3COO]- 161.09906 163.9
[M+Na-2H]- 123.05988 124.9
[M]+ 102.08466 119.4
[M]- 102.08576 119.4
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