CID 296619

(4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl methylcarbamate

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC1=CC(=O)C(=CC1=O)COC(=O)NC
InChI
InChI=1S/C10H11NO4/c1-6-3-9(13)7(4-8(6)12)5-15-10(14)11-2/h3-4H,5H2,1-2H3,(H,11,14)
InChIKey
MLXGTWVSUCXNHG-UHFFFAOYSA-N
Compound name
(4-methyl-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

209.0688 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 141.2
[M+Na]+ 232.05802 149.6
[M-H]- 208.06152 145.5
[M+NH4]+ 227.10262 160.2
[M+K]+ 248.03196 148.6
[M+H-H2O]+ 192.06606 135.4
[M+HCOO]- 254.06700 165.5
[M+CH3COO]- 268.08265 188.3
[M+Na-2H]- 230.04347 145.1
[M]+ 209.06825 143.4
[M]- 209.06935 143.4
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

No patent data available for this compound.