CID 165752648

En300-39854520

Structural Information

Molecular Formula
C11H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(C)(C)N
InChI
InChI=1S/C11H22BNO2/c1-9(2,13)7-8-12-14-10(3,4)11(5,6)15-12/h7-8H,13H2,1-6H3/b8-7+
InChIKey
DSOFOBANPSTKBP-BQYQJAHWSA-N
Compound name
(E)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.17436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.18164 144.9
[M+Na]+ 234.16358 152.6
[M-H]- 210.16708 149.5
[M+NH4]+ 229.20818 167.0
[M+K]+ 250.13752 153.3
[M+H-H2O]+ 194.17162 142.5
[M+HCOO]- 256.17256 163.9
[M+CH3COO]- 270.18821 189.4
[M+Na-2H]- 232.14903 151.5
[M]+ 211.17381 146.3
[M]- 211.17491 146.3
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

No patent data available for this compound.