CID 2734750

Isopropylboronic acid

Structural Information

Molecular Formula
C3H9BO2
SMILES
B(C(C)C)(O)O
InChI
InChI=1S/C3H9BO2/c1-3(2)4(5)6/h3,5-6H,1-2H3
InChIKey
QIPHSSYCQCBJAX-UHFFFAOYSA-N
Compound name
propan-2-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1360
Patents

88.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.076836 116.1
[M+Na]+ 111.05878 122.9
[M-H]- 87.062284 114.0
[M+NH4]+ 106.10338 138.5
[M+K]+ 127.03272 123.3
[M+H-H2O]+ 71.066820 112.5
[M+HCOO]- 133.06776 136.1
[M+CH3COO]- 147.08341 160.8
[M+Na-2H]- 109.04423 120.8
[M]+ 88.069011 114.3
[M]- 88.070109 114.3
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