CID 155290413

2772654-99-4

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/C2CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H30BNO4/c1-12(9-18-22-16(5,6)17(7,8)23-18)13-10-19(11-13)14(20)21-15(2,3)4/h9,13H,10-11H2,1-8H3/b12-9+
InChIKey
SYPGEKLHMSXSPR-FMIVXFBMSA-N
Compound name
tert-butyl 3-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23406 173.3
[M+Na]+ 346.21600 177.6
[M-H]- 322.21950 179.6
[M+NH4]+ 341.26060 183.6
[M+K]+ 362.18994 181.9
[M+H-H2O]+ 306.22404 165.7
[M+HCOO]- 368.22498 185.7
[M+CH3COO]- 382.24063 210.8
[M+Na-2H]- 344.20145 174.1
[M]+ 323.22623 185.8
[M]- 323.22733 185.8
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.