CID 135491485

4-[3-(dimethylamino)isoxazol-5-yl]benzene-1,3-diol

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CN(C)C1=NOC(=C1)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C11H12N2O3/c1-13(2)11-6-10(16-12-11)8-4-3-7(14)5-9(8)15/h3-6,14-15H,1-2H3
InChIKey
ZUDCRSLTSWDFKJ-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)-1,2-oxazol-5-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.3
[M+Na]+ 243.07402 155.2
[M-H]- 219.07752 152.3
[M+NH4]+ 238.11862 163.2
[M+K]+ 259.04796 154.2
[M+H-H2O]+ 203.08206 139.3
[M+HCOO]- 265.08300 169.5
[M+CH3COO]- 279.09865 188.5
[M+Na-2H]- 241.05947 150.9
[M]+ 220.08425 148.6
[M]- 220.08535 148.6
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

No patent data available for this compound.