CID 165784117

2246400-11-1

Structural Information

Molecular Formula
C12H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C\2/CC(OC2)C
InChI
InChI=1S/C12H21BO3/c1-9-6-10(8-14-9)7-13-15-11(2,3)12(4,5)16-13/h7,9H,6,8H2,1-5H3/b10-7-
InChIKey
DQOYNHSYKAYMTA-YFHOEESVSA-N
Compound name
4,4,5,5-tetramethyl-2-[(Z)-(5-methyloxolan-3-ylidene)methyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16565 146.0
[M+Na]+ 247.14759 154.0
[M-H]- 223.15109 154.6
[M+NH4]+ 242.19219 168.2
[M+K]+ 263.12153 155.5
[M+H-H2O]+ 207.15563 144.0
[M+HCOO]- 269.15657 164.5
[M+CH3COO]- 283.17222 188.1
[M+Na-2H]- 245.13304 150.0
[M]+ 224.15782 147.8
[M]- 224.15892 147.8
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.