CID 4382016

Akos024338370

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CCN(C(=O)CC#N)C(=O)NC1CCCCC1
InChI
InChI=1S/C12H19N3O2/c1-2-15(11(16)8-9-13)12(17)14-10-6-4-3-5-7-10/h10H,2-8H2,1H3,(H,14,17)
InChIKey
CSUWCVAEBNREIS-UHFFFAOYSA-N
Compound name
2-cyano-N-(cyclohexylcarbamoyl)-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.14772 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 157.7
[M+Na]+ 260.13694 161.8
[M-H]- 236.14044 160.7
[M+NH4]+ 255.18154 172.9
[M+K]+ 276.11088 160.8
[M+H-H2O]+ 220.14498 144.1
[M+HCOO]- 282.14592 174.8
[M+CH3COO]- 296.16157 208.7
[M+Na-2H]- 258.12239 158.5
[M]+ 237.14717 149.2
[M]- 237.14827 149.2
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.