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]+ 194.08118 135.7
[M+Na]+ 216.06312 141.1
[M-H]- 192.06662 140.7
[M+NH4]+ 211.10772 153.7
[M+K]+ 232.03706 145.1
[M+H-H2O]+ 176.07116 130.4
[M+HCOO]- 238.07210 160.1
[M+CH3COO]- 252.08775 185.8
[M+Na-2H]- 214.04857 141.5
[M]+ 193.07335 134.5
[M]- 193.07445 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.