CID 4186635

Decylboronic acid

Structural Information

Molecular Formula
C10H23BO2
SMILES
B(CCCCCCCCCC)(O)O
InChI
InChI=1S/C10H23BO2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h12-13H,2-10H2,1H3
InChIKey
TUTSEMMBKGBUGD-UHFFFAOYSA-N
Compound name
decylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

186.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.18639 148.1
[M+Na]+ 209.16833 152.2
[M-H]- 185.17183 144.7
[M+NH4]+ 204.21293 166.7
[M+K]+ 225.14227 150.3
[M+H-H2O]+ 169.17637 143.1
[M+HCOO]- 231.17731 166.8
[M+CH3COO]- 245.19296 181.1
[M+Na-2H]- 207.15378 150.3
[M]+ 186.17856 149.6
[M]- 186.17966 149.6
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