CID 10857031

(11r)-dihydroartemisinic aldehyde

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)[C@@H](C)C=O
InChI
InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11-15H,4-7H2,1-3H3/t11-,12+,13+,14+,15+/m1/s1
InChIKey
PIUSZJFEZXYOAT-QTVXIADOSA-N
Compound name
(2R)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

34
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.1
[M+Na]+ 243.17193 164.6
[M+NH4]+ 238.21653 162.6
[M+K]+ 259.14587 157.1
[M-H]- 219.17543 156.0
[M+Na-2H]- 241.15738 156.7
[M]+ 220.18216 155.5
[M]- 220.18326 155.5
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