CID 10015003

Lactaronecatorin a

Structural Information

Molecular Formula
C15H22O3
SMILES
CC(CC1=C(COC1=O)CO)C2=CCC(C2)(C)C
InChI
InChI=1S/C15H22O3/c1-10(11-4-5-15(2,3)7-11)6-13-12(8-16)9-18-14(13)17/h4,10,16H,5-9H2,1-3H3
InChIKey
ASKJTZIKSPCIKT-UHFFFAOYSA-N
Compound name
4-[2-(4,4-dimethylcyclopenten-1-yl)propyl]-3-(hydroxymethyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 158.3
[M+Na]+ 273.14611 165.4
[M-H]- 249.14961 164.6
[M+NH4]+ 268.19071 179.3
[M+K]+ 289.12005 163.7
[M+H-H2O]+ 233.15415 154.2
[M+HCOO]- 295.15509 178.3
[M+CH3COO]- 309.17074 192.5
[M+Na-2H]- 271.13156 157.9
[M]+ 250.15634 159.7
[M]- 250.15744 159.7
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.