CID 59297096

2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole hydrochloride

Structural Information

Molecular Formula
C11H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(O2)C)C
InChI
InChI=1S/C11H18BNO3/c1-7-9(14-8(2)13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3
InChIKey
BVMHHXHZIVLJIA-UHFFFAOYSA-N
Compound name
2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

223.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14525 141.3
[M+Na]+ 246.12719 152.4
[M-H]- 222.13069 149.9
[M+NH4]+ 241.17179 162.8
[M+K]+ 262.10113 154.4
[M+H-H2O]+ 206.13523 138.5
[M+HCOO]- 268.13617 161.7
[M+CH3COO]- 282.15182 189.6
[M+Na-2H]- 244.11264 146.7
[M]+ 223.13742 147.5
[M]- 223.13852 147.5
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