CID 70805

N-cyclohexyl-3-oxobutanamide

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(=O)CC(=O)NC1CCCCC1
InChI
InChI=1S/C10H17NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,11,13)
InChIKey
FLCPERRDPXWFDK-UHFFFAOYSA-N
Compound name
N-cyclohexyl-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

183.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 142.6
[M+Na]+ 206.115148 145.7
[M-H]- 182.118654 145.0
[M+NH4]+ 201.159753 161.6
[M+K]+ 222.089088 144.9
[M+H-H2O]+ 166.123190 136.5
[M+HCOO]- 228.124131 162.3
[M+CH3COO]- 242.139781 183.6
[M+Na-2H]- 204.100596 145.0
[M]+ 183.12538142 137.9
[M]- 183.12647858 137.9
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