CID 131239513

1190375-91-7

Structural Information

Molecular Formula
C16H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)12-11-13-7-9-14(10-8-13)18(5)6/h7-12H,1-6H3/b12-11+
InChIKey
ZKPKZHAHHWEXSU-VAWYXSNFSA-N
Compound name
N,N-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

273.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19728 161.4
[M+Na]+ 296.17922 169.3
[M-H]- 272.18272 171.1
[M+NH4]+ 291.22382 181.8
[M+K]+ 312.15316 169.6
[M+H-H2O]+ 256.18726 156.4
[M+HCOO]- 318.18820 183.2
[M+CH3COO]- 332.20385 204.8
[M+Na-2H]- 294.16467 165.8
[M]+ 273.18945 165.3
[M]- 273.19055 165.3
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