CID 91641357

1454653-70-3

Structural Information

Molecular Formula
C19H32BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN(CCC)CCC
InChI
InChI=1S/C19H32BNO2/c1-7-12-21(13-8-2)15-16-10-9-11-17(14-16)20-22-18(3,4)19(5,6)23-20/h9-11,14H,7-8,12-13,15H2,1-6H3
InChIKey
MXESWGPVUNLWEC-UHFFFAOYSA-N
Compound name
N-propyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.25262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.25990 176.9
[M+Na]+ 340.24184 187.8
[M+NH4]+ 335.28644 187.4
[M+K]+ 356.21578 179.4
[M-H]- 316.24534 183.7
[M+Na-2H]- 338.22729 184.1
[M]+ 317.25207 180.8
[M]- 317.25317 180.8
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.