CID 11822857

Prosolanapyrone ii

Structural Information

Molecular Formula
C18H24O4
SMILES
C/C=C/C=C/CCCC/C=C/C1=CC(=C(C(=O)O1)CO)OC
InChI
InChI=1S/C18H24O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-13,19H,7-10,14H2,1-2H3/b4-3+,6-5+,12-11+
InChIKey
FAKIZFXTXMMNRM-JHHIBIJLSA-N
Compound name
3-(hydroxymethyl)-4-methoxy-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

304.16745 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17473 172.6
[M+Na]+ 327.15667 179.9
[M-H]- 303.16017 175.1
[M+NH4]+ 322.20127 186.4
[M+K]+ 343.13061 175.6
[M+H-H2O]+ 287.16471 165.8
[M+HCOO]- 349.16565 193.5
[M+CH3COO]- 363.18130 202.4
[M+Na-2H]- 325.14212 174.6
[M]+ 304.16690 178.5
[M]- 304.16800 178.5
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