CID 10901419

Enokipodin d

Structural Information

Molecular Formula
C15H18O4
SMILES
CC1=CC(=O)C(=CC1=O)[C@]2([C@@H](CC(=O)C2(C)C)O)C
InChI
InChI=1S/C15H18O4/c1-8-5-11(17)9(6-10(8)16)15(4)13(19)7-12(18)14(15,2)3/h5-6,13,19H,7H2,1-4H3/t13-,15+/m1/s1
InChIKey
DBTMIHPJDPGOCQ-HIFRSBDPSA-N
Compound name
2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

262.1205 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 151.2
[M+Na]+ 285.109718 161.9
[M-H]- 261.113224 158.0
[M+NH4]+ 280.154323 174.0
[M+K]+ 301.083658 158.7
[M+H-H2O]+ 245.117760 148.1
[M+HCOO]- 307.118701 171.6
[M+CH3COO]- 321.134351 195.8
[M+Na-2H]- 283.095166 152.6
[M]+ 262.11995142 152.3
[M]- 262.12104858 152.3
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

patents stripe