CID 71437252

Dehydrocyanaropicrin

Structural Information

Molecular Formula
C19H20O6
SMILES
C=C1CC(C2C(C3C1CC(=O)C3=C)OC(=O)C2=C)OC(=O)C(=C)CO
InChI
InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2
InChIKey
MSTZNVVCBOEAGA-UHFFFAOYSA-N
Compound name
(3,6,9-trimethylidene-2,8-dioxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-(hydroxymethyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

344.12598 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 179.7
[M+Na]+ 367.11520 184.0
[M+NH4]+ 362.15980 183.1
[M+K]+ 383.08914 185.9
[M-H]- 343.11870 178.0
[M+Na-2H]- 365.10065 174.5
[M]+ 344.12543 179.1
[M]- 344.12653 179.1
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