CID 3678270

Artemin

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1C2CCC3(C(CCC(=C)C3(C2OC1=O)O)O)C
InChI
InChI=1S/C15H22O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h9-12,16,18H,1,4-7H2,2-3H3
InChIKey
CJLHTKGWEUGORV-UHFFFAOYSA-N
Compound name
6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

5765
Patents

266.1518 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 160.7
[M+Na]+ 289.14102 169.2
[M+NH4]+ 284.18562 171.1
[M+K]+ 305.11496 162.7
[M-H]- 265.14452 162.1
[M+Na-2H]- 287.12647 162.0
[M]+ 266.15125 162.3
[M]- 266.15235 162.3
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