CID 155290971

2769821-05-6

Structural Information

Molecular Formula
C16H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-12(11-18)8-9-17-21-15(4,5)16(6,7)22-17/h8-9,12H,10-11H2,1-7H3/b9-8+
InChIKey
SEJRZESQJFYDSM-CMDGGOBGSA-N
Compound name
tert-butyl 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

309.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21843 173.5
[M+Na]+ 332.20037 177.1
[M+NH4]+ 327.24497 177.2
[M+K]+ 348.17431 174.4
[M-H]- 308.20387 172.5
[M+Na-2H]- 330.18582 174.1
[M]+ 309.21060 172.7
[M]- 309.21170 172.7
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