CID 155820283

Ethyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate hydrochloride

Structural Information

Molecular Formula
C12H24BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(CC(=O)OCC)CN
InChI
InChI=1S/C12H24BNO4/c1-6-16-10(15)7-9(8-14)13-17-11(2,3)12(4,5)18-13/h9H,6-8,14H2,1-5H3
InChIKey
NGQGTDDVHHMJBY-UHFFFAOYSA-N
Compound name
ethyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18712 157.7
[M+Na]+ 280.16906 163.9
[M-H]- 256.17256 161.9
[M+NH4]+ 275.21366 177.6
[M+K]+ 296.14300 165.9
[M+H-H2O]+ 240.17710 154.5
[M+HCOO]- 302.17804 176.3
[M+CH3COO]- 316.19369 198.1
[M+Na-2H]- 278.15451 160.6
[M]+ 257.17929 161.6
[M]- 257.18039 161.6
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.