CID 71306486

4-(cyclopentyl)iminomethyl phenyl boronic acid pinacol ester

Structural Information

Molecular Formula
C18H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NC3CCCC3
InChI
InChI=1S/C18H26BNO2/c1-17(2)18(3,4)22-19(21-17)15-11-9-14(10-12-15)13-20-16-7-5-6-8-16/h9-13,16H,5-8H2,1-4H3
InChIKey
CDQBIYSLWWPWDS-UHFFFAOYSA-N
Compound name
N-cyclopentyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.21294 168.5
[M+Na]+ 322.19488 175.0
[M-H]- 298.19838 180.7
[M+NH4]+ 317.23948 189.0
[M+K]+ 338.16882 174.1
[M+H-H2O]+ 282.20292 163.1
[M+HCOO]- 344.20386 189.9
[M+CH3COO]- 358.21951 206.5
[M+Na-2H]- 320.18033 170.5
[M]+ 299.20511 169.1
[M]- 299.20621 169.1
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.