CID 28947

18188-87-9

Structural Information

Molecular Formula
C10H11NO3
SMILES
CCOC(=O)NC1=CC=CC=CC1=O
InChI
InChI=1S/C10H11NO3/c1-2-14-10(13)11-8-6-4-3-5-7-9(8)12/h3-7H,2H2,1H3,(H,11,12,13)
InChIKey
ZDMKAROHCJCELW-UHFFFAOYSA-N
Compound name
ethyl N-(7-oxocyclohepta-1,3,5-trien-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 135.7
[M+Na]+ 216.063118 141.1
[M-H]- 192.066624 140.7
[M+NH4]+ 211.107723 153.7
[M+K]+ 232.037058 145.1
[M+H-H2O]+ 176.071160 130.4
[M+HCOO]- 238.072101 160.1
[M+CH3COO]- 252.087751 185.8
[M+Na-2H]- 214.048566 141.5
[M]+ 193.07335142 134.5
[M]- 193.07444858 134.5
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.