CID 98644

Methyl 2-acetamidoacrylate

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC(=O)NC(=C)C(=O)OC
InChI
InChI=1S/C6H9NO3/c1-4(6(9)10-3)7-5(2)8/h1H2,2-3H3,(H,7,8)
InChIKey
SMWNFFKPVLVOQQ-UHFFFAOYSA-N
Compound name
methyl 2-acetamidoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

1837
Patents

143.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.5
[M+Na]+ 166.04746 135.2
[M-H]- 142.05096 129.1
[M+NH4]+ 161.09206 149.6
[M+K]+ 182.02140 135.9
[M+H-H2O]+ 126.05550 123.7
[M+HCOO]- 188.05644 151.7
[M+CH3COO]- 202.07209 176.4
[M+Na-2H]- 164.03291 132.1
[M]+ 143.05769 129.1
[M]- 143.05879 129.1
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