CID 165984261

En300-37356944

Structural Information

Molecular Formula
C16H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CC(C2)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C16H30BNO4/c1-13(2,3)20-12(19)18-11-9-16(8,10-11)17-21-14(4,5)15(6,7)22-17/h11H,9-10H2,1-8H3,(H,18,19)
InChIKey
OCJHMPMHVOAOLT-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23406 168.2
[M+Na]+ 334.21600 172.8
[M-H]- 310.21950 176.1
[M+NH4]+ 329.26060 181.9
[M+K]+ 350.18994 177.5
[M+H-H2O]+ 294.22404 162.4
[M+HCOO]- 356.22498 183.7
[M+CH3COO]- 370.24063 210.6
[M+Na-2H]- 332.20145 172.8
[M]+ 311.22623 180.9
[M]- 311.22733 180.9
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.