CID 145874218

Methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-2h-pyran-3-carboxylate

Structural Information

Molecular Formula
C13H21BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(COCC2)C(=O)OC
InChI
InChI=1S/C13H21BO5/c1-12(2)13(3,4)19-14(18-12)10-6-7-17-8-9(10)11(15)16-5/h6-8H2,1-5H3
InChIKey
HRSNNNBVYSJGCG-UHFFFAOYSA-N
Compound name
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15548 155.6
[M+Na]+ 291.13742 163.0
[M-H]- 267.14092 164.4
[M+NH4]+ 286.18202 174.2
[M+K]+ 307.11136 166.1
[M+H-H2O]+ 251.14546 152.0
[M+HCOO]- 313.14640 172.5
[M+CH3COO]- 327.16205 196.0
[M+Na-2H]- 289.12287 160.3
[M]+ 268.14765 159.6
[M]- 268.14875 159.6
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.