CID 68469585

1233526-27-6

Structural Information

Molecular Formula
C14H20BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3(CC3)C#N
InChI
InChI=1S/C14H20BN3O2/c1-12(2)13(3,4)20-15(19-12)11-7-17-18(8-11)10-14(9-16)5-6-14/h7-8H,5-6,10H2,1-4H3
InChIKey
HQCDKTSRHLUBKB-UHFFFAOYSA-N
Compound name
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

273.16486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.17214 148.4
[M+Na]+ 296.15408 165.8
[M-H]- 272.15758 157.8
[M+NH4]+ 291.19868 164.1
[M+K]+ 312.12802 160.5
[M+H-H2O]+ 256.16212 139.4
[M+HCOO]- 318.16306 164.8
[M+CH3COO]- 332.17871 161.8
[M+Na-2H]- 294.13953 154.5
[M]+ 273.16431 151.6
[M]- 273.16541 151.6
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