CID 166000887

2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C15H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N(N=C3C=C2)C)C=O
InChI
InChI=1S/C15H19BN2O3/c1-14(2)15(3,4)21-16(20-14)10-6-7-12-11(8-10)13(9-19)18(5)17-12/h6-9H,1-5H3
InChIKey
MCFUMFNSQSMNMC-UHFFFAOYSA-N
Compound name
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15614 159.0
[M+Na]+ 309.13808 172.0
[M-H]- 285.14158 167.1
[M+NH4]+ 304.18268 179.1
[M+K]+ 325.11202 170.7
[M+H-H2O]+ 269.14612 153.6
[M+HCOO]- 331.14706 179.1
[M+CH3COO]- 345.16271 173.3
[M+Na-2H]- 307.12353 163.3
[M]+ 286.14831 166.4
[M]- 286.14941 166.4
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.