CID 15225569

5-amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone

Structural Information

Molecular Formula
C15H17NO4
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)/C=C/CO)C
InChI
InChI=1S/C15H17NO4/c1-15(2)8-11(19)13-12(20-15)6-5-9(14(13)16)10(18)4-3-7-17/h3-6,17H,7-8,16H2,1-2H3/b4-3+
InChIKey
FQWVFPQMOJOLSZ-ONEGZZNKSA-N
Compound name
5-amino-6-[(E)-4-hydroxybut-2-enoyl]-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 161.6
[M+Na]+ 298.10497 169.7
[M-H]- 274.10847 165.2
[M+NH4]+ 293.14957 178.7
[M+K]+ 314.07891 167.1
[M+H-H2O]+ 258.11301 156.1
[M+HCOO]- 320.11395 179.4
[M+CH3COO]- 334.12960 200.2
[M+Na-2H]- 296.09042 165.1
[M]+ 275.11520 161.6
[M]- 275.11630 161.6
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

No patent data available for this compound.