CID 18184039

N-dodecylboronic acid

Structural Information

Molecular Formula
C12H27BO2
SMILES
B(CCCCCCCCCCCC)(O)O
InChI
InChI=1S/C12H27BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h14-15H,2-12H2,1H3
InChIKey
UMJURJHHLVYBFY-UHFFFAOYSA-N
Compound name
dodecylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

214.2104 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.21768 157.2
[M+Na]+ 237.19962 160.5
[M-H]- 213.20312 153.4
[M+NH4]+ 232.24422 174.6
[M+K]+ 253.17356 158.0
[M+H-H2O]+ 197.20766 151.7
[M+HCOO]- 259.20860 175.2
[M+CH3COO]- 273.22425 187.1
[M+Na-2H]- 235.18507 158.3
[M]+ 214.20985 159.5
[M]- 214.21095 159.5
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