CID 11020893

Dihydroartemisinic acid

Structural Information

Molecular Formula
C15H24O2
SMILES
C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)[C@@H](C)C(=O)O
InChI
InChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10-14H,4-7H2,1-3H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1
InChIKey
JYGAZEJXUVDYHI-DGTMBMJNSA-N
Compound name
(2R)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

450
Patents

236.17763 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 156.4
[M+Na]+ 259.16685 160.6
[M-H]- 235.17035 158.4
[M+NH4]+ 254.21145 174.7
[M+K]+ 275.14079 157.9
[M+H-H2O]+ 219.17489 150.9
[M+HCOO]- 281.17583 170.0
[M+CH3COO]- 295.19148 194.2
[M+Na-2H]- 257.15230 155.7
[M]+ 236.17708 151.6
[M]- 236.17818 151.6
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