CID 58407382

1116097-04-1

Structural Information

Molecular Formula
C14H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC)C#N
InChI
InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)12-7-6-11(17-5)8-10(12)9-16/h6-8H,1-5H3
InChIKey
RMJHQHSCNOVZLH-UHFFFAOYSA-N
Compound name
5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

259.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14525 150.3
[M+Na]+ 282.12719 163.1
[M-H]- 258.13069 158.1
[M+NH4]+ 277.17179 169.2
[M+K]+ 298.10113 160.4
[M+H-H2O]+ 242.13523 139.3
[M+HCOO]- 304.13617 168.2
[M+CH3COO]- 318.15182 207.0
[M+Na-2H]- 280.11264 155.8
[M]+ 259.13742 150.3
[M]- 259.13852 150.3
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