CID 113609

Dtxsid90879606

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CCCCC(=CC)C(=O)NC(=O)N
InChI
InChI=1S/C9H16N2O2/c1-3-5-6-7(4-2)8(12)11-9(10)13/h4H,3,5-6H2,1-2H3,(H3,10,11,12,13)
InChIKey
AUJBYHKZNPPODV-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-ethylidenehexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 145.1
[M+Na]+ 207.110408 149.7
[M-H]- 183.113914 144.5
[M+NH4]+ 202.155013 163.9
[M+K]+ 223.084348 148.8
[M+H-H2O]+ 167.118450 139.3
[M+HCOO]- 229.119391 167.4
[M+CH3COO]- 243.135041 187.2
[M+Na-2H]- 205.095856 146.0
[M]+ 184.12064142 143.3
[M]- 184.12173858 143.3
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

No patent data available for this compound.