CID 138991179

2246534-30-3

Structural Information

Molecular Formula
C17H27BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN3CCC(C3)N
InChI
InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)14-7-5-6-13(10-14)11-20-9-8-15(19)12-20/h5-7,10,15H,8-9,11-12,19H2,1-4H3
InChIKey
CBOUQJCUDBSRNE-UHFFFAOYSA-N
Compound name
1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.21655 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22383 169.3
[M+Na]+ 325.20577 176.3
[M-H]- 301.20927 178.8
[M+NH4]+ 320.25037 187.7
[M+K]+ 341.17971 174.9
[M+H-H2O]+ 285.21381 163.4
[M+HCOO]- 347.21475 187.4
[M+CH3COO]- 361.23040 181.1
[M+Na-2H]- 323.19122 169.6
[M]+ 302.21600 168.5
[M]- 302.21710 168.5
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

No patent data available for this compound.