CID 66650904

1012084-55-7

Structural Information

Molecular Formula
C4H6BNO3
SMILES
B(C1=C(ON=C1)C)(O)O
InChI
InChI=1S/C4H6BNO3/c1-3-4(5(7)8)2-6-9-3/h2,7-8H,1H3
InChIKey
RSQFTSAYEJOSPO-UHFFFAOYSA-N
Compound name
(5-methyl-1,2-oxazol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

127.044075 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05135 120.6
[M+Na]+ 150.03329 129.4
[M-H]- 126.03680 121.4
[M+NH4]+ 145.07790 140.6
[M+K]+ 166.00723 129.7
[M+H-H2O]+ 110.04134 115.4
[M+HCOO]- 172.04228 141.7
[M+CH3COO]- 186.05793 164.1
[M+Na-2H]- 148.01874 126.7
[M]+ 127.04353 121.0
[M]- 127.04462 121.0
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