CID 3019794

84255-11-8

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CC1=C(C=C(C=C1)N=NC2C(=O)CC(CC2=O)(C)C)[N+](=O)[O-]
InChI
InChI=1S/C15H17N3O4/c1-9-4-5-10(6-11(9)18(21)22)16-17-14-12(19)7-15(2,3)8-13(14)20/h4-6,14H,7-8H2,1-3H3
InChIKey
HZEHEXLYQVLMSV-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-[(4-methyl-3-nitrophenyl)diazenyl]cyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12192 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.129196 165.0
[M+Na]+ 326.111138 171.8
[M-H]- 302.114644 174.6
[M+NH4]+ 321.155743 182.0
[M+K]+ 342.085078 166.2
[M+H-H2O]+ 286.119180 162.1
[M+HCOO]- 348.120121 191.5
[M+CH3COO]- 362.135771 208.6
[M+Na-2H]- 324.096586 170.8
[M]+ 303.12137142 164.2
[M]- 303.12246858 164.2
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.