CID 538565

N-(4-oxocyclohexyl)acetamide

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(=O)NC1CCC(=O)CC1
InChI
InChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10)
InChIKey
WZEMYWNHKFIVKE-UHFFFAOYSA-N
Compound name
N-(4-oxocyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
Patents

155.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.5
[M+Na]+ 178.08386 137.7
[M-H]- 154.08736 135.6
[M+NH4]+ 173.12846 153.1
[M+K]+ 194.05780 137.0
[M+H-H2O]+ 138.09190 127.0
[M+HCOO]- 200.09284 153.9
[M+CH3COO]- 214.10849 177.8
[M+Na-2H]- 176.06931 136.7
[M]+ 155.09409 128.1
[M]- 155.09519 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe