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
2
Annotation Hits

0
References

76
Patents

204.1878 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 145.3
[M+Na]+ 227.177018 154.3
[M-H]- 203.180524 149.5
[M+NH4]+ 222.221623 172.6
[M+K]+ 243.150958 149.2
[M+H-H2O]+ 187.185060 142.4
[M+HCOO]- 249.186001 158.1
[M+CH3COO]- 263.201651 157.8
[M+Na-2H]- 225.162466 147.7
[M]+ 204.18725142 151.4
[M]- 204.18834858 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

literature stripe

Patent stripe

patents stripe