CID 519960

Cyclosativene

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)C1CCC2(C3C1C4C2(C4C3)C)C
InChI
InChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3
InChIKey
XBWACJDEQIZTPR-UHFFFAOYSA-N
Compound name
1,2-dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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 145.3
[M+Na]+ 227.17702 154.3
[M-H]- 203.18052 149.5
[M+NH4]+ 222.22162 172.6
[M+K]+ 243.15096 149.2
[M+H-H2O]+ 187.18506 142.4
[M+HCOO]- 249.18600 158.1
[M+CH3COO]- 263.20165 157.8
[M+Na-2H]- 225.16247 147.7
[M]+ 204.18725 151.4
[M]- 204.18835 151.4
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.