CID 75487152

1985620-97-0

Structural Information

Molecular Formula
C12H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)CCCCC(=O)OC
InChI
InChI=1S/C12H23BO4/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(14)15-5/h6-9H2,1-5H3
InChIKey
IWXXFZWSYXRKBU-UHFFFAOYSA-N
Compound name
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

242.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17623 151.2
[M+Na]+ 265.15817 158.6
[M-H]- 241.16167 156.0
[M+NH4]+ 260.20277 172.4
[M+K]+ 281.13211 160.6
[M+H-H2O]+ 225.16621 148.4
[M+HCOO]- 287.16715 170.6
[M+CH3COO]- 301.18280 192.8
[M+Na-2H]- 263.14362 156.1
[M]+ 242.16840 157.6
[M]- 242.16950 157.6
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