CID 90287907

1619897-15-2

Structural Information

Molecular Formula
C12H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2COC)C
InChI
InChI=1S/C12H21BN2O3/c1-11(2)12(3,4)18-13(17-11)9-7-15(5)14-10(9)8-16-6/h7H,8H2,1-6H3
InChIKey
OTBNVSNPKNATRY-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

252.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17180 149.8
[M+Na]+ 275.15374 160.2
[M-H]- 251.15724 156.2
[M+NH4]+ 270.19834 170.0
[M+K]+ 291.12768 161.3
[M+H-H2O]+ 235.16178 145.2
[M+HCOO]- 297.16272 169.6
[M+CH3COO]- 311.17837 194.9
[M+Na-2H]- 273.13919 153.5
[M]+ 252.16397 156.2
[M]- 252.16507 156.2
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

patents stripe