CID 170988688

Graphilane

Structural Information

Molecular Formula
C15H20O4
SMILES
C[C@H]1[C@@H](C[C@@H](C2=CC(=O)[C@]3([C@@H]([C@]12C)O3)C(=C)C)O)O
InChI
InChI=1S/C15H20O4/c1-7(2)15-12(18)5-9-11(17)6-10(16)8(3)14(9,4)13(15)19-15/h5,8,10-11,13,16-17H,1,6H2,2-4H3/t8-,10+,11-,13+,14+,15-/m0/s1
InChIKey
MARWPPVVBPFYHO-RLKFAZAPSA-N
Compound name
(1aR,4S,6R,7R,7aR,7bR)-4,6-dihydroxy-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

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 159.0
[M+Na]+ 287.12539 169.5
[M-H]- 263.12889 163.5
[M+NH4]+ 282.16999 174.9
[M+K]+ 303.09933 167.2
[M+H-H2O]+ 247.13343 155.6
[M+HCOO]- 309.13437 170.4
[M+CH3COO]- 323.15002 199.2
[M+Na-2H]- 285.11084 163.3
[M]+ 264.13562 162.1
[M]- 264.13672 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.