CID 95149

N-allylacrylamide

Structural Information

Molecular Formula
C6H9NO
SMILES
C=CCNC(=O)C=C
InChI
InChI=1S/C6H9NO/c1-3-5-7-6(8)4-2/h3-4H,1-2,5H2,(H,7,8)
InChIKey
CNPHCSFIDKZQAK-UHFFFAOYSA-N
Compound name
N-prop-2-enylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14907
Patents

111.06841 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 122.1
[M+Na]+ 134.05763 129.2
[M-H]- 110.06113 122.6
[M+NH4]+ 129.10223 144.6
[M+K]+ 150.03157 128.1
[M+H-H2O]+ 94.065670 117.6
[M+HCOO]- 156.06661 146.8
[M+CH3COO]- 170.08226 171.2
[M+Na-2H]- 132.04308 128.2
[M]+ 111.06786 121.2
[M]- 111.06896 121.2
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