CID 5272178

1,4-naphthalenediacetaldehyde, 2,3-dimethyl-a,a'-dioxo-

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=C(C2=CC=CC=C2C(=C1C)C(=O)C=O)C(=O)C=O
InChI
InChI=1S/C16H12O4/c1-9-10(2)16(14(20)8-18)12-6-4-3-5-11(12)15(9)13(19)7-17/h3-8H,1-2H3
InChIKey
DRYVCYXFVKIJIW-UHFFFAOYSA-N
Compound name
2-(2,3-dimethyl-4-oxaldehydoylnaphthalen-1-yl)-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.07355 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 155.2
[M+Na]+ 291.06277 164.9
[M-H]- 267.06627 160.5
[M+NH4]+ 286.10737 173.0
[M+K]+ 307.03671 161.7
[M+H-H2O]+ 251.07081 148.9
[M+HCOO]- 313.07175 176.9
[M+CH3COO]- 327.08740 201.3
[M+Na-2H]- 289.04822 158.1
[M]+ 268.07300 159.7
[M]- 268.07410 159.7
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.