CID 241027

N,n-diallylacetamide

Structural Information

Molecular Formula
C8H13NO
SMILES
CC(=O)N(CC=C)CC=C
InChI
InChI=1S/C8H13NO/c1-4-6-9(7-5-2)8(3)10/h4-5H,1-2,6-7H2,3H3
InChIKey
BGQJNGISTPIALH-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-enyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2000
Patents

139.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.8
[M+Na]+ 162.08894 137.3
[M-H]- 138.09244 132.5
[M+NH4]+ 157.13354 152.9
[M+K]+ 178.06288 137.0
[M+H-H2O]+ 122.09698 125.8
[M+HCOO]- 184.09792 155.4
[M+CH3COO]- 198.11357 180.9
[M+Na-2H]- 160.07439 135.2
[M]+ 139.09917 132.0
[M]- 139.10027 132.0
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