CID 156431

Celerin

Structural Information

Molecular Formula
C15H16O4
SMILES
CC(C)(C=C)C1=CC(=C(C2=C1C=CC(=O)O2)O)OC
InChI
InChI=1S/C15H16O4/c1-5-15(2,3)10-8-11(18-4)13(17)14-9(10)6-7-12(16)19-14/h5-8,17H,1H2,2-4H3
InChIKey
KATNIMBVOAPAGX-UHFFFAOYSA-N
Compound name
8-hydroxy-7-methoxy-5-(2-methylbut-3-en-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

153
Patents

260.10486 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.112136 155.9
[M+Na]+ 283.094078 166.3
[M-H]- 259.097584 160.8
[M+NH4]+ 278.138683 172.7
[M+K]+ 299.068018 164.1
[M+H-H2O]+ 243.102120 150.3
[M+HCOO]- 305.103061 175.5
[M+CH3COO]- 319.118711 196.2
[M+Na-2H]- 281.079526 162.9
[M]+ 260.10431142 161.1
[M]- 260.10540858 161.1
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

patents stripe