CID 6579

Acrylamide

Structural Information

Molecular Formula
C3H5NO
SMILES
C=CC(=O)N
InChI
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
InChIKey
HRPVXLWXLXDGHG-UHFFFAOYSA-N
Compound name
prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7442
References

271164
Patents

71.03712 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.044396 110.1
[M+Na]+ 94.026338 118.0
[M-H]- 70.029844 110.4
[M+NH4]+ 89.070943 133.9
[M+K]+ 110.00028 117.9
[M+H-H2O]+ 54.034380 106.0
[M+HCOO]- 116.03532 134.9
[M+CH3COO]- 130.05097 163.0
[M+Na-2H]- 92.011786 116.7
[M]+ 71.036571 107.7
[M]- 71.037669 107.7
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