CID 20140

Valnoctamide

Structural Information

Molecular Formula
C8H17NO
SMILES
CCC(C)C(CC)C(=O)N
InChI
InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKey
QRCJOCOSPZMDJY-UHFFFAOYSA-N
Compound name
2-ethyl-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

57
References

1179
Patents

143.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 134.6
[M+Na]+ 166.12023 142.7
[M+NH4]+ 161.16483 141.8
[M+K]+ 182.09417 138.8
[M-H]- 142.12373 133.8
[M+Na-2H]- 164.10568 136.7
[M]+ 143.13046 135.1
[M]- 143.13156 135.1
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