CID 44119166

4-[cyclohexyl(methyl)carbamoyl]benzeneboronic acid

Structural Information

Molecular Formula
C14H20BNO3
SMILES
B(C1=CC=C(C=C1)C(=O)N(C)C2CCCCC2)(O)O
InChI
InChI=1S/C14H20BNO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h7-10,13,18-19H,2-6H2,1H3
InChIKey
HJTPGROLNSBJDQ-UHFFFAOYSA-N
Compound name
[4-[cyclohexyl(methyl)carbamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16091 159.8
[M+Na]+ 284.14285 161.9
[M-H]- 260.14635 163.9
[M+NH4]+ 279.18745 174.7
[M+K]+ 300.11679 160.3
[M+H-H2O]+ 244.15089 152.4
[M+HCOO]- 306.15183 176.9
[M+CH3COO]- 320.16748 196.4
[M+Na-2H]- 282.12830 160.2
[M]+ 261.15308 154.4
[M]- 261.15418 154.4
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