CID 68845

Valdetamide

Structural Information

Molecular Formula
C9H17NO
SMILES
CCC(CC)(CC=C)C(=O)N
InChI
InChI=1S/C9H17NO/c1-4-7-9(5-2,6-3)8(10)11/h4H,1,5-7H2,2-3H3,(H2,10,11)
InChIKey
LOMDVEFCNVDZMZ-UHFFFAOYSA-N
Compound name
2,2-diethylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

264
Patents

155.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 137.3
[M+Na]+ 178.120228 143.3
[M-H]- 154.123734 137.0
[M+NH4]+ 173.164833 158.0
[M+K]+ 194.094168 142.0
[M+H-H2O]+ 138.128270 132.8
[M+HCOO]- 200.129211 158.6
[M+CH3COO]- 214.144861 181.6
[M+Na-2H]- 176.105676 141.4
[M]+ 155.13046142 136.8
[M]- 155.13155858 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe