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
6
Annotation Hits

57
References

2028
Patents

143.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 135.7
[M+Na]+ 166.120228 140.9
[M-H]- 142.123734 135.3
[M+NH4]+ 161.164833 156.6
[M+K]+ 182.094168 141.0
[M+H-H2O]+ 126.128270 130.7
[M+HCOO]- 188.129211 156.7
[M+CH3COO]- 202.144861 181.0
[M+Na-2H]- 164.105676 136.9
[M]+ 143.13046142 134.6
[M]- 143.13155858 134.6
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