CID 155290223

2375930-89-3

Structural Information

Molecular Formula
C15H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CCNC(=O)OC(C)(C)C
InChI
InChI=1S/C15H28BNO4/c1-13(2,3)19-12(18)17-11-9-8-10-16-20-14(4,5)15(6,7)21-16/h8,10H,9,11H2,1-7H3,(H,17,18)/b10-8+
InChIKey
NNXLQFVUDBMHLY-CSKARUKUSA-N
Compound name
tert-butyl N-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21843 167.5
[M+Na]+ 320.20037 173.6
[M-H]- 296.20387 172.0
[M+NH4]+ 315.24497 186.4
[M+K]+ 336.17431 174.8
[M+H-H2O]+ 280.20841 164.7
[M+HCOO]- 342.20935 185.6
[M+CH3COO]- 356.22500 204.4
[M+Na-2H]- 318.18582 172.5
[M]+ 297.21060 172.8
[M]- 297.21170 172.8
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.