CID 11412613

N-[(4-oxocyclohexyl)methyl]acetamide

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(=O)NCC1CCC(=O)CC1
InChI
InChI=1S/C9H15NO2/c1-7(11)10-6-8-2-4-9(12)5-3-8/h8H,2-6H2,1H3,(H,10,11)
InChIKey
QAXXVSNCADPNGT-UHFFFAOYSA-N
Compound name
N-[(4-oxocyclohexyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

169.11028 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 137.1
[M+Na]+ 192.09950 141.8
[M-H]- 168.10300 140.0
[M+NH4]+ 187.14410 157.1
[M+K]+ 208.07344 140.9
[M+H-H2O]+ 152.10754 131.4
[M+HCOO]- 214.10848 158.2
[M+CH3COO]- 228.12413 180.8
[M+Na-2H]- 190.08495 140.7
[M]+ 169.10973 133.1
[M]- 169.11083 133.1
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

patents stripe