CID 22159

3-oxo-2-(p-tolylazo)butyric acid ethyl ester

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)C
InChI
InChI=1S/C13H16N2O3/c1-4-18-13(17)12(10(3)16)15-14-11-7-5-9(2)6-8-11/h5-8,12H,4H2,1-3H3
InChIKey
BBBCJFWZAQMHLR-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-methylphenyl)diazenyl]-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.11609 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.8
[M+Na]+ 271.10531 166.5
[M+NH4]+ 266.14991 163.1
[M+K]+ 287.07925 161.6
[M-H]- 247.10881 158.7
[M+Na-2H]- 269.09076 162.0
[M]+ 248.11554 158.3
[M]- 248.11664 158.3
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