CID 17998927

864754-17-6

Structural Information

Molecular Formula
C13H21BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3OCCO3
InChI
InChI=1S/C13H21BN2O4/c1-12(2)13(3,4)20-14(19-12)10-7-15-16(8-10)9-11-17-5-6-18-11/h7-8,11H,5-6,9H2,1-4H3
InChIKey
IWEGDQUCWQFKHS-UHFFFAOYSA-N
Compound name
1-(1,3-dioxolan-2-ylmethyl)-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

4276
Patents

280.15942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16670 156.9
[M+Na]+ 303.14864 166.7
[M+NH4]+ 298.19324 166.0
[M+K]+ 319.12258 166.1
[M-H]- 279.15214 163.9
[M+Na-2H]- 301.13409 161.8
[M]+ 280.15887 160.5
[M]- 280.15997 160.5
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