CID 71062819

1314138-13-0

Structural Information

Molecular Formula
C12H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CCCN3N=C2
InChI
InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-8-14-15-7-5-6-10(9)15/h8H,5-7H2,1-4H3
InChIKey
LJCFTIMGDJYWHD-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

234.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16124 148.3
[M+Na]+ 257.14318 158.2
[M-H]- 233.14668 155.3
[M+NH4]+ 252.18778 171.4
[M+K]+ 273.11712 158.3
[M+H-H2O]+ 217.15122 144.0
[M+HCOO]- 279.15216 166.9
[M+CH3COO]- 293.16781 162.2
[M+Na-2H]- 255.12863 150.7
[M]+ 234.15341 150.9
[M]- 234.15451 150.9
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