CID 79482

2-acetamidoacrylic acid

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC(=O)NC(=C)C(=O)O
InChI
InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)
InChIKey
UFDFFEMHDKXMBG-UHFFFAOYSA-N
Compound name
2-acetamidoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

1246
Patents

129.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 124.6
[M+Na]+ 152.03181 131.1
[M-H]- 128.03531 123.8
[M+NH4]+ 147.07641 145.4
[M+K]+ 168.00575 131.2
[M+H-H2O]+ 112.03985 120.1
[M+HCOO]- 174.04079 146.5
[M+CH3COO]- 188.05644 171.5
[M+Na-2H]- 150.01726 128.1
[M]+ 129.04204 122.9
[M]- 129.04314 122.9
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