CID 9297

Allylisopropylacetamide

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(C)C(CC=C)C(=O)N
InChI
InChI=1S/C8H15NO/c1-4-5-7(6(2)3)8(9)10/h4,6-7H,1,5H2,2-3H3,(H2,9,10)
InChIKey
HINLFAQOKAHXOD-UHFFFAOYSA-N
Compound name
2-propan-2-ylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

288
References

105
Patents

141.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 134.0
[M+Na]+ 164.10459 139.5
[M-H]- 140.10809 133.7
[M+NH4]+ 159.14919 155.0
[M+K]+ 180.07853 139.0
[M+H-H2O]+ 124.11263 129.2
[M+HCOO]- 186.11357 155.2
[M+CH3COO]- 200.12922 180.0
[M+Na-2H]- 162.09004 135.4
[M]+ 141.11482 132.3
[M]- 141.11592 132.3
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