CID 89741428

1449599-69-2

Structural Information

Molecular Formula
C15H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN3C=C(N=C(C3=C2)C)C
InChI
InChI=1S/C15H21BN2O2/c1-10-8-18-9-12(7-13(18)11(2)17-10)16-19-14(3,4)15(5,6)20-16/h7-9H,1-6H3
InChIKey
KBQYYDHZFPWMJO-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

272.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17690 156.9
[M+Na]+ 295.15884 169.9
[M-H]- 271.16234 165.1
[M+NH4]+ 290.20344 177.8
[M+K]+ 311.13278 168.5
[M+H-H2O]+ 255.16688 151.6
[M+HCOO]- 317.16782 176.8
[M+CH3COO]- 331.18347 171.4
[M+Na-2H]- 293.14429 161.0
[M]+ 272.16907 163.6
[M]- 272.17017 163.6
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