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]+ 193.097146 137.6
[M+Na]+ 215.079088 143.1
[M-H]- 191.082594 143.0
[M+NH4]+ 210.123693 155.6
[M+K]+ 231.053028 146.9
[M+H-H2O]+ 175.087130 131.9
[M+HCOO]- 237.088071 162.7
[M+CH3COO]- 251.103721 190.3
[M+Na-2H]- 213.064536 142.9
[M]+ 192.08932142 134.8
[M]- 192.09041858 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.