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 168.9
[M+Na]+ 332.20037 175.3
[M-H]- 308.20387 177.0
[M+NH4]+ 327.24497 188.9
[M+K]+ 348.17431 176.5
[M+H-H2O]+ 292.20841 166.5
[M+HCOO]- 354.20935 187.2
[M+CH3COO]- 368.22500 206.3
[M+Na-2H]- 330.18582 172.0
[M]+ 309.21060 172.6
[M]- 309.21170 172.6
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

patents stripe