CID 90183328

1612172-84-5

Structural Information

Molecular Formula
C16H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(C)(C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H30BNO4/c1-13(2,3)20-12(19)18-14(4,5)10-11-17-21-15(6,7)16(8,9)22-17/h10-11H,1-9H3,(H,18,19)/b11-10+
InChIKey
XVMNOHJTGYNWCZ-ZHACJKMWSA-N
Compound name
tert-butyl N-[(E)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

311.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23406 171.2
[M+Na]+ 334.21600 177.3
[M+NH4]+ 329.26060 178.4
[M+K]+ 350.18994 173.8
[M-H]- 310.21950 171.7
[M+Na-2H]- 332.20145 174.0
[M]+ 311.22623 172.3
[M]- 311.22733 172.3
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