CID 3058466

75304-25-5

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC1=CC=C(C=C1)N=NC(C(=O)C)C(=O)C
InChI
InChI=1S/C12H14N2O2/c1-8-4-6-11(7-5-8)13-14-12(9(2)15)10(3)16/h4-7,12H,1-3H3
InChIKey
MGYMXSYMUUPIOB-UHFFFAOYSA-N
Compound name
3-[(4-methylphenyl)diazenyl]pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

218.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 148.3
[M+Na]+ 241.094748 154.6
[M-H]- 217.098254 154.8
[M+NH4]+ 236.139353 167.4
[M+K]+ 257.068688 154.4
[M+H-H2O]+ 201.102790 141.1
[M+HCOO]- 263.103731 175.0
[M+CH3COO]- 277.119381 199.9
[M+Na-2H]- 239.080196 152.1
[M]+ 218.10498142 150.8
[M]- 218.10607858 150.8
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