CID 165738299

En300-33225935

Structural Information

Molecular Formula
C16H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2CCN2C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-11-9-12(18)8-10-17-21-15(4,5)16(6,7)22-17/h8,10,12H,9,11H2,1-7H3/b10-8+
InChIKey
YFUZXYPJVPOELN-CSKARUKUSA-N
Compound name
tert-butyl 2-[(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

0
Patents

309.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21843 167.8
[M+Na]+ 332.20037 172.9
[M-H]- 308.20387 174.2
[M+NH4]+ 327.24497 178.7
[M+K]+ 348.17431 176.8
[M+H-H2O]+ 292.20841 160.2
[M+HCOO]- 354.20935 181.5
[M+CH3COO]- 368.22500 207.1
[M+Na-2H]- 330.18582 170.3
[M]+ 309.21060 180.6
[M]- 309.21170 180.6
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.