CID 177175

Sporogen-ao 1

Structural Information

Molecular Formula
C15H20O3
SMILES
C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)C(=C)C)O
InChI
InChI=1S/C15H20O3/c1-8(2)15-12(17)7-10-5-6-11(16)9(3)14(10,4)13(15)18-15/h7,9,11,13,16H,1,5-6H2,2-4H3/t9-,11+,13+,14+,15-/m0/s1
InChIKey
PCBDXYONDOCJPR-OANMRLRGSA-N
Compound name
(1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

248.14125 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 156.8
[M+Na]+ 271.13047 167.1
[M-H]- 247.13397 162.4
[M+NH4]+ 266.17507 173.8
[M+K]+ 287.10441 165.1
[M+H-H2O]+ 231.13851 152.8
[M+HCOO]- 293.13945 169.7
[M+CH3COO]- 307.15510 198.0
[M+Na-2H]- 269.11592 161.9
[M]+ 248.14070 159.6
[M]- 248.14180 159.6
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