CID 59231695

1220635-60-8

Structural Information

Molecular Formula
C15H25BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3CCOCC3
InChI
InChI=1S/C15H25BN2O3/c1-14(2)15(3,4)21-16(20-14)13-9-17-18(11-13)10-12-5-7-19-8-6-12/h9,11-12H,5-8,10H2,1-4H3
InChIKey
OMRFOTIFDZORHU-UHFFFAOYSA-N
Compound name
1-(oxan-4-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

96
Patents

292.19583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20311 164.5
[M+Na]+ 315.18505 171.2
[M-H]- 291.18855 173.1
[M+NH4]+ 310.22965 180.6
[M+K]+ 331.15899 172.4
[M+H-H2O]+ 275.19309 158.2
[M+HCOO]- 337.19403 179.2
[M+CH3COO]- 351.20968 176.1
[M+Na-2H]- 313.17050 166.0
[M]+ 292.19528 165.2
[M]- 292.19638 165.2
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