CID 193628

N-(2-hydroxyethyl)prop-2-enamide

Structural Information

Molecular Formula
C5H9NO2
SMILES
C=CC(=O)NCCO
InChI
InChI=1S/C5H9NO2/c1-2-5(8)6-3-4-7/h2,7H,1,3-4H2,(H,6,8)
InChIKey
UUORTJUPDJJXST-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

27404
Patents

115.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.8
[M+Na]+ 138.052548 129.6
[M-H]- 114.056054 121.9
[M+NH4]+ 133.097153 144.4
[M+K]+ 154.026488 128.8
[M+H-H2O]+ 98.060590 118.3
[M+HCOO]- 160.061531 146.3
[M+CH3COO]- 174.077181 168.5
[M+Na-2H]- 136.037996 128.8
[M]+ 115.06278142 121.7
[M]- 115.06387858 121.7
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