CID 205828

2-cyano-2-ethylpentanamide

Structural Information

Molecular Formula
C8H14N2O
SMILES
CCCC(CC)(C#N)C(=O)N
InChI
InChI=1S/C8H14N2O/c1-3-5-8(4-2,6-9)7(10)11/h3-5H2,1-2H3,(H2,10,11)
InChIKey
GQEAGAYBSSTQEJ-UHFFFAOYSA-N
Compound name
2-cyano-2-ethylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 137.5
[M+Na]+ 177.09983 145.2
[M-H]- 153.10333 137.8
[M+NH4]+ 172.14443 156.1
[M+K]+ 193.07377 144.8
[M+H-H2O]+ 137.10787 126.4
[M+HCOO]- 199.10881 155.6
[M+CH3COO]- 213.12446 193.1
[M+Na-2H]- 175.08528 141.7
[M]+ 154.11006 132.3
[M]- 154.11116 132.3
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.