CID 203946

1-piperidineacetamide, n-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride

Structural Information

Molecular Formula
C14H18N2O2
SMILES
C1CCN(CC1)CC(=O)NC2=CC=CC=CC2=O
InChI
InChI=1S/C14H18N2O2/c17-13-8-4-1-3-7-12(13)15-14(18)11-16-9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,17,18)
InChIKey
SAFCBBKDADWJNU-UHFFFAOYSA-N
Compound name
N-(7-oxocyclohepta-1,3,5-trien-1-yl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 154.5
[M+Na]+ 269.12605 156.9
[M-H]- 245.12955 159.8
[M+NH4]+ 264.17065 168.5
[M+K]+ 285.09999 158.8
[M+H-H2O]+ 229.13409 146.5
[M+HCOO]- 291.13503 173.5
[M+CH3COO]- 305.15068 195.3
[M+Na-2H]- 267.11150 157.8
[M]+ 246.13628 147.4
[M]- 246.13738 147.4
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.