CID 301777

Nsc180027

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1C2C(CC(=C)C3CC4C(C3C2OC1=O)(O4)C)O
InChI
InChI=1S/C15H20O4/c1-6-4-9(16)11-7(2)14(17)18-13(11)12-8(6)5-10-15(12,3)19-10/h7-13,16H,1,4-5H2,2-3H3
InChIKey
VHMXKQUYGYSNAU-UHFFFAOYSA-N
Compound name
7-hydroxy-5,14-dimethyl-9-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-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 152.5
[M+Na]+ 287.12539 161.9
[M-H]- 263.12889 160.5
[M+NH4]+ 282.16999 168.9
[M+K]+ 303.09933 160.3
[M+H-H2O]+ 247.13343 151.0
[M+HCOO]- 309.13437 164.3
[M+CH3COO]- 323.15002 164.3
[M+Na-2H]- 285.11084 154.4
[M]+ 264.13562 153.5
[M]- 264.13672 153.5
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.