CID 11818401

1374106-06-5

Structural Information

Molecular Formula
C14H26BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H26BNO4/c1-12(2,3)18-11(17)16-10-8-9-15-19-13(4,5)14(6,7)20-15/h8-9H,10H2,1-7H3,(H,16,17)/b9-8+
InChIKey
WOLHSJKSGPKMIA-CMDGGOBGSA-N
Compound name
tert-butyl N-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

283.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20278 162.9
[M+Na]+ 306.18472 169.5
[M-H]- 282.18822 167.7
[M+NH4]+ 301.22932 182.4
[M+K]+ 322.15866 170.9
[M+H-H2O]+ 266.19276 160.3
[M+HCOO]- 328.19370 181.3
[M+CH3COO]- 342.20935 201.4
[M+Na-2H]- 304.17017 168.5
[M]+ 283.19495 167.9
[M]- 283.19605 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe