CID 123694081

1643574-07-5

Structural Information

Molecular Formula
C16H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-12-9-8-11(10-12)17-21-15(4,5)16(6,7)22-17/h8,12H,9-10H2,1-7H3,(H,18,19)
InChIKey
PCMPZYJRXHPAOP-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

309.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21843 169.1
[M+Na]+ 332.20037 175.9
[M+NH4]+ 327.24497 177.7
[M+K]+ 348.17431 173.5
[M-H]- 308.20387 172.4
[M+Na-2H]- 330.18582 173.3
[M]+ 309.21060 171.1
[M]- 309.21170 171.1
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