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 137.6
[M+Na]+ 215.07909 143.1
[M-H]- 191.08259 143.0
[M+NH4]+ 210.12369 155.6
[M+K]+ 231.05303 146.9
[M+H-H2O]+ 175.08713 131.9
[M+HCOO]- 237.08807 162.7
[M+CH3COO]- 251.10372 190.3
[M+Na-2H]- 213.06454 142.9
[M]+ 192.08932 134.8
[M]- 192.09042 134.8
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.