CID 137964005

Methyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]methyl})amine hydrochloride

Structural Information

Molecular Formula
C12H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=COC(=C2)CNC
InChI
InChI=1S/C12H20BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-10(7-14-5)15-8-9/h6,8,14H,7H2,1-5H3
InChIKey
QUZQBFXGSOKFOM-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16091 148.8
[M+Na]+ 260.14285 157.5
[M-H]- 236.14635 158.0
[M+NH4]+ 255.18745 170.2
[M+K]+ 276.11679 159.1
[M+H-H2O]+ 220.15089 145.9
[M+HCOO]- 282.15183 170.9
[M+CH3COO]- 296.16748 193.6
[M+Na-2H]- 258.12830 154.9
[M]+ 237.15308 153.6
[M]- 237.15418 153.6
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.