CID 55290192

3-oxocyclohexane-1-carboxamide

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CC(CC(=O)C1)C(=O)N
InChI
InChI=1S/C7H11NO2/c8-7(10)5-2-1-3-6(9)4-5/h5H,1-4H2,(H2,8,10)
InChIKey
HWQYGPLWZGRAKD-UHFFFAOYSA-N
Compound name
3-oxocyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

141.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 128.4
[M+Na]+ 164.068198 133.8
[M-H]- 140.071704 131.0
[M+NH4]+ 159.112803 149.1
[M+K]+ 180.042138 133.0
[M+H-H2O]+ 124.076240 123.0
[M+HCOO]- 186.077181 149.4
[M+CH3COO]- 200.092831 174.8
[M+Na-2H]- 162.053646 131.9
[M]+ 141.07843142 122.6
[M]- 141.07952858 122.6
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

patents stripe