CID 135713125

64932-31-6

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC1=CC(=C(C(=O)O1)C(=O)/C=C\N(C)C)O
InChI
InChI=1S/C11H13NO4/c1-7-6-9(14)10(11(15)16-7)8(13)4-5-12(2)3/h4-6,14H,1-3H3/b5-4-
InChIKey
MWWHOYAVFMXZAC-PLNGDYQASA-N
Compound name
3-[(Z)-3-(dimethylamino)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5
Patents

223.08446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 146.0
[M+Na]+ 246.073678 154.8
[M-H]- 222.077184 151.3
[M+NH4]+ 241.118283 163.3
[M+K]+ 262.047618 154.7
[M+H-H2O]+ 206.081720 139.9
[M+HCOO]- 268.082661 169.6
[M+CH3COO]- 282.098311 192.8
[M+Na-2H]- 244.059126 150.0
[M]+ 223.08391142 150.1
[M]- 223.08500858 150.1
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

No patent data available for this compound.