CID 351065

Propylboronic acid

Structural Information

Molecular Formula
C3H9BO2
SMILES
B(CCC)(O)O
InChI
InChI=1S/C3H9BO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3
InChIKey
JAQOMSTTXPGKTN-UHFFFAOYSA-N
Compound name
propylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1327
Patents

88.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.076836 115.1
[M+Na]+ 111.05878 124.7
[M+NH4]+ 106.10338 122.9
[M+K]+ 127.03272 120.8
[M-H]- 87.062284 113.5
[M+Na-2H]- 109.04423 118.3
[M]+ 88.069011 115.7
[M]- 88.070109 115.7
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