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

9
Patents

311.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23406 169.3
[M+Na]+ 334.21600 175.4
[M-H]- 310.21950 173.9
[M+NH4]+ 329.26060 187.7
[M+K]+ 350.18994 177.0
[M+H-H2O]+ 294.22404 167.4
[M+HCOO]- 356.22498 185.5
[M+CH3COO]- 370.24063 207.9
[M+Na-2H]- 332.20145 175.5
[M]+ 311.22623 174.5
[M]- 311.22733 174.5
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