CID 67549036

631911-09-6

Structural Information

Molecular Formula
C14H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)N)C
InChI
InChI=1S/C14H20BNO3/c1-9-8-10(12(16)17)6-7-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H2,16,17)
InChIKey
APCPHCRRFATAOY-UHFFFAOYSA-N
Compound name
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

261.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16091 157.1
[M+Na]+ 284.14285 168.2
[M+NH4]+ 279.18745 167.1
[M+K]+ 300.11679 162.2
[M-H]- 260.14635 162.7
[M+Na-2H]- 282.12830 163.9
[M]+ 261.15308 160.5
[M]- 261.15418 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe