CID 71113

Valpromide

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCC(CCC)C(=O)N
InChI
InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKey
OMOMUFTZPTXCHP-UHFFFAOYSA-N
Compound name
2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

180
References

4399
Patents

143.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 134.2
[M+Na]+ 166.12023 142.6
[M+NH4]+ 161.16483 141.5
[M+K]+ 182.09417 137.9
[M-H]- 142.12373 133.6
[M+Na-2H]- 164.10568 136.7
[M]+ 143.13046 134.8
[M]- 143.13156 134.8
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