CID 46739236

2-(n-cyclopropylaminomethyl)phenylboronic acid, pinacol ester

Structural Information

Molecular Formula
C16H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CNC3CC3
InChI
InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)14-8-6-5-7-12(14)11-18-13-9-10-13/h5-8,13,18H,9-11H2,1-4H3
InChIKey
ZEYXACFFLQISAL-UHFFFAOYSA-N
Compound name
N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19728 157.3
[M+Na]+ 296.17922 166.3
[M-H]- 272.18272 169.3
[M+NH4]+ 291.22382 172.1
[M+K]+ 312.15316 166.6
[M+H-H2O]+ 256.18726 152.3
[M+HCOO]- 318.18820 177.7
[M+CH3COO]- 332.20385 203.7
[M+Na-2H]- 294.16467 162.9
[M]+ 273.18945 162.3
[M]- 273.19055 162.3
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

No patent data available for this compound.