CID 10555307

112531-75-6

Structural Information

Molecular Formula
C20H24
SMILES
C1CCC2=C([CH]C=C2C1)CCC3=C4CCCCC4=C[CH]3
InChI
InChI=1S/C20H24/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h9-12H,1-8,13-14H2
InChIKey
KCWJOFRCKKGBCA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1878 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19508 166.9
[M+Na]+ 287.17702 171.3
[M-H]- 263.18052 174.0
[M+NH4]+ 282.22162 188.6
[M+K]+ 303.15096 165.4
[M+H-H2O]+ 247.18506 160.1
[M+HCOO]- 309.18600 184.6
[M+CH3COO]- 323.20165 177.7
[M+Na-2H]- 285.16247 166.2
[M]+ 264.18725 162.0
[M]- 264.18835 162.0
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.