CID 135484955

Nsc693151

Structural Information

Molecular Formula
C18H24O2
SMILES
C1CCC2(C(C1)C(C3CCCC2C3=O)C4=CCC=C4)O
InChI
InChI=1S/C18H24O2/c19-17-13-8-5-10-15(17)18(20)11-4-3-9-14(18)16(13)12-6-1-2-7-12/h1,6-7,13-16,20H,2-5,8-11H2
InChIKey
VHDPJQFGYWBGEL-UHFFFAOYSA-N
Compound name
8-cyclopenta-1,4-dien-1-yl-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.17764 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18492 165.6
[M+Na]+ 295.16686 169.9
[M-H]- 271.17036 169.7
[M+NH4]+ 290.21146 187.1
[M+K]+ 311.14080 164.4
[M+H-H2O]+ 255.17490 159.1
[M+HCOO]- 317.17584 177.5
[M+CH3COO]- 331.19149 175.2
[M+Na-2H]- 293.15231 167.0
[M]+ 272.17709 157.8
[M]- 272.17819 157.8
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.