CID 131752430

Isoachifolidiene

Structural Information

Molecular Formula
C20H24O5
SMILES
C/C=C(\C)/C(=O)OC1CC2C(C3C(=CC=C3C1(C)O)C)OC(=O)C2=C
InChI
InChI=1S/C20H24O5/c1-6-10(2)18(21)24-15-9-13-12(4)19(22)25-17(13)16-11(3)7-8-14(16)20(15,5)23/h6-8,13,15-17,23H,4,9H2,1-3,5H3/b10-6+
InChIKey
ITEVGBFEXWVGSM-UXBLZVDNSA-N
Compound name
(6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16238 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16966 178.6
[M+Na]+ 367.15160 185.4
[M-H]- 343.15510 184.9
[M+NH4]+ 362.19620 197.0
[M+K]+ 383.12554 184.8
[M+H-H2O]+ 327.15964 176.5
[M+HCOO]- 389.16058 192.9
[M+CH3COO]- 403.17623 212.8
[M+Na-2H]- 365.13705 175.5
[M]+ 344.16183 178.2
[M]- 344.16293 178.2
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