CID 170903245

Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate

Structural Information

Molecular Formula
C12H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CCC(=O)OC
InChI
InChI=1S/C12H21BO4/c1-9(7-8-10(14)15-6)13-16-11(2,3)12(4,5)17-13/h1,7-8H2,2-6H3
InChIKey
DPDGPZXWILXBHF-UHFFFAOYSA-N
Compound name
methyl 4-(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

0
Patents

240.15329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16057 149.8
[M+Na]+ 263.14251 157.3
[M-H]- 239.14601 154.8
[M+NH4]+ 258.18711 171.0
[M+K]+ 279.11645 159.2
[M+H-H2O]+ 223.15055 147.3
[M+HCOO]- 285.15149 168.4
[M+CH3COO]- 299.16714 192.9
[M+Na-2H]- 261.12796 153.6
[M]+ 240.15274 154.9
[M]- 240.15384 154.9
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.