CID 3528229

N-tetradecylboronic acid

Structural Information

Molecular Formula
C14H31BO2
SMILES
B(CCCCCCCCCCCCCC)(O)O
InChI
InChI=1S/C14H31BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h16-17H,2-14H2,1H3
InChIKey
MCUAMUGSKSODIJ-UHFFFAOYSA-N
Compound name
tetradecylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

242.24171 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.24899 166.2
[M+Na]+ 265.23093 168.6
[M-H]- 241.23443 162.0
[M+NH4]+ 260.27553 182.5
[M+K]+ 281.20487 165.7
[M+H-H2O]+ 225.23897 160.3
[M+HCOO]- 287.23991 183.5
[M+CH3COO]- 301.25556 193.1
[M+Na-2H]- 263.21638 166.3
[M]+ 242.24116 169.2
[M]- 242.24226 169.2
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