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]+ 209.14558 139.8
[M+Na]+ 231.12752 149.4
[M-H]- 207.13102 145.8
[M+NH4]+ 226.17212 161.2
[M+K]+ 247.10146 150.5
[M+H-H2O]+ 191.13556 134.7
[M+HCOO]- 253.13650 160.0
[M+CH3COO]- 267.15215 184.5
[M+Na-2H]- 229.11297 145.3
[M]+ 208.13775 143.2
[M]- 208.13885 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.