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
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 146.0
[M+Na]+ 246.07368 154.8
[M-H]- 222.07718 151.3
[M+NH4]+ 241.11828 163.3
[M+K]+ 262.04762 154.7
[M+H-H2O]+ 206.08172 139.9
[M+HCOO]- 268.08266 169.6
[M+CH3COO]- 282.09831 192.8
[M+Na-2H]- 244.05913 150.0
[M]+ 223.08391 150.1
[M]- 223.08501 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.