CID 75486865

1578484-85-1

Structural Information

Molecular Formula
C11H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2)C)C=O
InChI
InChI=1S/C11H17BN2O3/c1-10(2)11(3,4)17-12(16-10)8-6-13-14(5)9(8)7-15/h6-7H,1-5H3
InChIKey
AMEIYOFJSKNQTQ-UHFFFAOYSA-N
Compound name
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

236.13322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14050 144.2
[M+Na]+ 259.12244 155.3
[M-H]- 235.12594 150.8
[M+NH4]+ 254.16704 165.0
[M+K]+ 275.09638 156.0
[M+H-H2O]+ 219.13048 139.8
[M+HCOO]- 281.13142 164.5
[M+CH3COO]- 295.14707 191.2
[M+Na-2H]- 257.10789 148.4
[M]+ 236.13267 149.5
[M]- 236.13377 149.5
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