CID 4280146

2-acetamido-2-allylmalonic acid

Structural Information

Molecular Formula
C8H11NO5
SMILES
CC(=O)NC(CC=C)(C(=O)O)C(=O)O
InChI
InChI=1S/C8H11NO5/c1-3-4-8(6(11)12,7(13)14)9-5(2)10/h3H,1,4H2,2H3,(H,9,10)(H,11,12)(H,13,14)
InChIKey
ABOLLNJXLFDZSK-UHFFFAOYSA-N
Compound name
2-acetamido-2-prop-2-enylpropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.06372 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.07100 141.2
[M+Na]+ 224.05294 146.6
[M-H]- 200.05644 138.7
[M+NH4]+ 219.09754 158.2
[M+K]+ 240.02688 146.0
[M+H-H2O]+ 184.06098 136.7
[M+HCOO]- 246.06192 159.8
[M+CH3COO]- 260.07757 181.9
[M+Na-2H]- 222.03839 143.8
[M]+ 201.06317 140.5
[M]- 201.06427 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe