CID 42608170

(+)-beta-isolongibornene

Structural Information

Molecular Formula
C15H24
SMILES
CC1(CCCC2(C3C1C(=C)C2CC3)C)C
InChI
InChI=1S/C15H24/c1-10-11-6-7-12-13(10)14(2,3)8-5-9-15(11,12)4/h11-13H,1,5-9H2,2-4H3
InChIKey
OYBHJKDJMRMSLX-UHFFFAOYSA-N
Compound name
2,6,6-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.3
[M+Na]+ 227.17702 156.7
[M-H]- 203.18052 155.5
[M+NH4]+ 222.22162 177.6
[M+K]+ 243.15096 152.7
[M+H-H2O]+ 187.18506 146.8
[M+HCOO]- 249.18600 166.6
[M+CH3COO]- 263.20165 162.3
[M+Na-2H]- 225.16247 151.5
[M]+ 204.18725 144.8
[M]- 204.18835 144.8
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.