CID 89668575

1446478-35-8

Structural Information

Molecular Formula
C12H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CCC(=O)OC
InChI
InChI=1S/C12H21BO4/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(14)15-5/h7,9H,6,8H2,1-5H3/b9-7+
InChIKey
SRCMNYPFDGLNFM-VQHVLOKHSA-N
Compound name
methyl (E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

240.15329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16057 149.9
[M+Na]+ 263.14251 157.7
[M-H]- 239.14601 154.8
[M+NH4]+ 258.18711 171.2
[M+K]+ 279.11645 159.1
[M+H-H2O]+ 223.15055 147.2
[M+HCOO]- 285.15149 169.5
[M+CH3COO]- 299.16714 191.3
[M+Na-2H]- 261.12796 154.8
[M]+ 240.15274 155.5
[M]- 240.15384 155.5
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