CID 3066744

Brn 0191453

Structural Information

Molecular Formula
C14H16O3
SMILES
CCCC1=C(C2=C(C=C(C(=C2)O)C)OC1=O)C
InChI
InChI=1S/C14H16O3/c1-4-5-10-9(3)11-7-12(15)8(2)6-13(11)17-14(10)16/h6-7,15H,4-5H2,1-3H3
InChIKey
OJEGAGRJJYFNPE-UHFFFAOYSA-N
Compound name
6-hydroxy-4,7-dimethyl-3-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11722 149.1
[M+Na]+ 255.09916 160.4
[M-H]- 231.10266 154.4
[M+NH4]+ 250.14376 167.5
[M+K]+ 271.07310 157.8
[M+H-H2O]+ 215.10720 143.5
[M+HCOO]- 277.10814 170.3
[M+CH3COO]- 291.12379 192.7
[M+Na-2H]- 253.08461 154.9
[M]+ 232.10939 154.1
[M]- 232.11049 154.1
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.