CID 296618

50827-61-7

Structural Information

Molecular Formula
C10H11NO5
SMILES
CNC(=O)OCC1=CC(=O)C(=CC1=O)OC
InChI
InChI=1S/C10H11NO5/c1-11-10(14)16-5-6-3-8(13)9(15-2)4-7(6)12/h3-4H,5H2,1-2H3,(H,11,14)
InChIKey
BHHSNSZCPGLDIX-UHFFFAOYSA-N
Compound name
(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06372 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 143.8
[M+Na]+ 248.05294 152.0
[M-H]- 224.05644 148.0
[M+NH4]+ 243.09754 162.0
[M+K]+ 264.02688 151.6
[M+H-H2O]+ 208.06098 137.6
[M+HCOO]- 270.06192 168.3
[M+CH3COO]- 284.07757 190.5
[M+Na-2H]- 246.03839 147.8
[M]+ 225.06317 147.4
[M]- 225.06427 147.4
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.