CID 128278

Nada quinone

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=O)NCCC1=CC(=O)C(=O)C=C1
InChI
InChI=1S/C10H11NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKey
WALUDRYRFZLUJY-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

193.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 139.0
[M+Na]+ 216.06312 146.5
[M-H]- 192.06662 142.8
[M+NH4]+ 211.10772 158.3
[M+K]+ 232.03706 144.8
[M+H-H2O]+ 176.07116 133.1
[M+HCOO]- 238.07210 163.1
[M+CH3COO]- 252.08775 185.6
[M+Na-2H]- 214.04857 143.4
[M]+ 193.07335 139.4
[M]- 193.07445 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe