CID 91654567

2413838-13-6

Structural Information

Molecular Formula
C15H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C#N)OCOC
InChI
InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)12-8-11(9-17)6-7-13(12)19-10-18-5/h6-8H,10H2,1-5H3
InChIKey
QERBWXOEAHHFEA-UHFFFAOYSA-N
Compound name
4-(methoxymethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15581 156.5
[M+Na]+ 312.13775 168.8
[M-H]- 288.14125 164.1
[M+NH4]+ 307.18235 174.2
[M+K]+ 328.11169 166.5
[M+H-H2O]+ 272.14579 145.3
[M+HCOO]- 334.14673 174.3
[M+CH3COO]- 348.16238 211.6
[M+Na-2H]- 310.12320 161.7
[M]+ 289.14798 158.1
[M]- 289.14908 158.1
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.