CID 165996006

1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C10H17BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)CN2C=CC=N2
InChI
InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-13-7-5-6-12-13/h5-7H,8H2,1-4H3
InChIKey
VGQSUGJDNDSNSI-UHFFFAOYSA-N
Compound name
1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.145576 139.8
[M+Na]+ 231.127518 149.4
[M-H]- 207.131024 145.8
[M+NH4]+ 226.172123 161.2
[M+K]+ 247.101458 150.5
[M+H-H2O]+ 191.135560 134.7
[M+HCOO]- 253.136501 160.0
[M+CH3COO]- 267.152151 184.5
[M+Na-2H]- 229.112966 145.3
[M]+ 208.13775142 143.2
[M]- 208.13884858 143.2
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.