CID 59127780

3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanenitrile

Structural Information

Molecular Formula
C15H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCC#N
InChI
InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)6-5-11-17/h7-10H,5-6H2,1-4H3
InChIKey
OGOXYOXLPUUTJM-UHFFFAOYSA-N
Compound name
3-[4-(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

27
Patents

257.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.165996 153.0
[M+Na]+ 280.147938 164.8
[M-H]- 256.151444 160.3
[M+NH4]+ 275.192543 171.7
[M+K]+ 296.121878 161.1
[M+H-H2O]+ 240.155980 141.6
[M+HCOO]- 302.156921 170.4
[M+CH3COO]- 316.172571 206.7
[M+Na-2H]- 278.133386 158.2
[M]+ 257.15817142 151.5
[M]- 257.15926858 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