CID 28943

(2-ethylamino-5-acetamido)tropone

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CCNC1=CC=C(C=CC1=O)NC(=O)C
InChI
InChI=1S/C11H14N2O2/c1-3-12-10-6-4-9(13-8(2)14)5-7-11(10)15/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKey
CGNFYFSTYGBHJM-UHFFFAOYSA-N
Compound name
N-[4-(ethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 142.1
[M+Na]+ 229.09475 147.1
[M-H]- 205.09825 147.3
[M+NH4]+ 224.13935 159.5
[M+K]+ 245.06869 150.7
[M+H-H2O]+ 189.10279 136.2
[M+HCOO]- 251.10373 166.9
[M+CH3COO]- 265.11938 193.1
[M+Na-2H]- 227.08020 146.8
[M]+ 206.10498 139.6
[M]- 206.10608 139.6
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.