CID 28942

18188-68-6

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CC(=O)NC1=CC=C(C(=O)C=C1)NC
InChI
InChI=1S/C10H12N2O2/c1-7(13)12-8-3-5-9(11-2)10(14)6-4-8/h3-6H,1-2H3,(H,11,14)(H,12,13)
InChIKey
RFMKTEVOKJTKOQ-UHFFFAOYSA-N
Compound name
N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 139.4
[M+Na]+ 215.07909 148.1
[M+NH4]+ 210.12369 145.8
[M+K]+ 231.05303 144.7
[M-H]- 191.08259 141.2
[M+Na-2H]- 213.06454 145.1
[M]+ 192.08932 140.9
[M]- 192.09042 140.9
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.