CID 75094

2158-76-1

Structural Information

Molecular Formula
C10H13NO4
SMILES
C1=CC(=O)C(=CC1=O)N(CCO)CCO
InChI
InChI=1S/C10H13NO4/c12-5-3-11(4-6-13)9-7-8(14)1-2-10(9)15/h1-2,7,12-13H,3-6H2
InChIKey
GOZMLRNNKDCONO-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

211.08446 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 143.6
[M+Na]+ 234.07368 150.1
[M-H]- 210.07718 145.9
[M+NH4]+ 229.11828 161.3
[M+K]+ 250.04762 148.7
[M+H-H2O]+ 194.08172 137.5
[M+HCOO]- 256.08266 166.1
[M+CH3COO]- 270.09831 186.8
[M+Na-2H]- 232.05913 147.5
[M]+ 211.08391 144.3
[M]- 211.08501 144.3
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