CID 59276561

1214900-09-0

Structural Information

Molecular Formula
C15H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CCC#N
InChI
InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-5-7-12(11-13)8-6-10-17/h5,7,9,11H,6,8H2,1-4H3
InChIKey
IVNBWGAHDFQQGC-UHFFFAOYSA-N
Compound name
3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

257.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16600 153.0
[M+Na]+ 280.14794 164.8
[M-H]- 256.15144 160.3
[M+NH4]+ 275.19254 171.7
[M+K]+ 296.12188 161.1
[M+H-H2O]+ 240.15598 141.6
[M+HCOO]- 302.15692 170.4
[M+CH3COO]- 316.17257 206.7
[M+Na-2H]- 278.13339 158.2
[M]+ 257.15817 151.5
[M]- 257.15927 151.5
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

patents stripe