CID 11171100

847818-62-6

Structural Information

Molecular Formula
C6H11BN2O2
SMILES
B(C1=C(N(N=C1C)C)C)(O)O
InChI
InChI=1S/C6H11BN2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h10-11H,1-3H3
InChIKey
AWOUMBMZDWJMGM-UHFFFAOYSA-N
Compound name
(1,3,5-trimethylpyrazol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

154.09135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09863 130.6
[M+Na]+ 177.08057 140.5
[M-H]- 153.08407 129.9
[M+NH4]+ 172.12517 150.3
[M+K]+ 193.05451 138.9
[M+H-H2O]+ 137.08861 124.9
[M+HCOO]- 199.08955 150.5
[M+CH3COO]- 213.10520 173.3
[M+Na-2H]- 175.06602 133.3
[M]+ 154.09080 131.1
[M]- 154.09190 131.1
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