CID 114794

N-(n-propyl) acrylamide

Structural Information

Molecular Formula
C6H11NO
SMILES
CCCNC(=O)C=C
InChI
InChI=1S/C6H11NO/c1-3-5-7-6(8)4-2/h4H,2-3,5H2,1H3,(H,7,8)
InChIKey
WDFKEEALECCKTJ-UHFFFAOYSA-N
Compound name
N-propylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

14784
Patents

113.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 123.7
[M+Na]+ 136.073278 130.5
[M-H]- 112.076784 124.1
[M+NH4]+ 131.117883 146.2
[M+K]+ 152.047218 130.0
[M+H-H2O]+ 96.081320 119.1
[M+HCOO]- 158.082261 148.2
[M+CH3COO]- 172.097911 172.2
[M+Na-2H]- 134.058726 129.8
[M]+ 113.08351142 123.5
[M]- 113.08460858 123.5
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