CID 165756923

En300-28268328

Structural Information

Molecular Formula
C12H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2)C3CC3
InChI
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-14-15-10(9)8-5-6-8/h7-8H,5-6H2,1-4H3
InChIKey
OOQRJFYUNIPHKE-UHFFFAOYSA-N
Compound name
5-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14525 151.7
[M+Na]+ 258.12719 165.0
[M+NH4]+ 253.17179 162.9
[M+K]+ 274.10113 162.0
[M-H]- 234.13069 165.8
[M+Na-2H]- 256.11264 161.2
[M]+ 235.13742 159.2
[M]- 235.13852 159.2
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.