CID 10922465

Artemisinic acid

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C(=O)O
InChI
InChI=1S/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/t10-,12+,13+,14+/m1/s1
InChIKey
PLQMEXSCSAIXGB-SAXRGWBVSA-N
Compound name
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

64
References

1525
Patents

234.16199 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.4
[M+Na]+ 257.15121 165.5
[M+NH4]+ 252.19581 163.6
[M+K]+ 273.12515 159.7
[M-H]- 233.15471 156.8
[M+Na-2H]- 255.13666 157.6
[M]+ 234.16144 157.0
[M]- 234.16254 157.0
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