CID 46173847

Anemonine

Structural Information

Molecular Formula
C10H8O4
SMILES
C1C[C@@]2([C@@]13C=CC(=O)O3)C=CC(=O)O2
InChI
InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2/t9-,10-/m1/s1
InChIKey
JLUQTCXCAFSSLD-NXEZZACHSA-N
Compound name
(5S,6S)-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

1134
Patents

192.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 125.8
[M+Na]+ 215.03147 134.4
[M-H]- 191.03497 136.0
[M+NH4]+ 210.07607 144.3
[M+K]+ 231.00541 137.4
[M+H-H2O]+ 175.03951 119.6
[M+HCOO]- 237.04045 147.8
[M+CH3COO]- 251.05610 180.6
[M+Na-2H]- 213.01692 134.1
[M]+ 192.04170 136.2
[M]- 192.04280 136.2
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