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]+ 142.08626 128.4
[M+Na]+ 164.06820 133.8
[M-H]- 140.07170 131.0
[M+NH4]+ 159.11280 149.1
[M+K]+ 180.04214 133.0
[M+H-H2O]+ 124.07624 123.0
[M+HCOO]- 186.07718 149.4
[M+CH3COO]- 200.09283 174.8
[M+Na-2H]- 162.05365 131.9
[M]+ 141.07843 122.6
[M]- 141.07953 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