CID 134399

3-ethylpentanamide

Structural Information

Molecular Formula
C7H15NO
SMILES
CCC(CC)CC(=O)N
InChI
InChI=1S/C7H15NO/c1-3-6(4-2)5-7(8)9/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKey
QDWYZRNZJUNDJO-UHFFFAOYSA-N
Compound name
3-ethylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

490
Patents

129.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 130.7
[M+Na]+ 152.10459 136.5
[M-H]- 128.10809 130.5
[M+NH4]+ 147.14919 152.3
[M+K]+ 168.07853 136.4
[M+H-H2O]+ 112.11263 125.9
[M+HCOO]- 174.11357 153.0
[M+CH3COO]- 188.12922 177.0
[M+Na-2H]- 150.09004 133.8
[M]+ 129.11482 130.0
[M]- 129.11592 130.0
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