CID 543807

1,7-dimethyl-4-(1-methylethyl)cyclodecane

Structural Information

Molecular Formula
C15H30
SMILES
CC1CCCC(CCC(CC1)C(C)C)C
InChI
InChI=1S/C15H30/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h12-15H,5-11H2,1-4H3
InChIKey
IBMAYSYTZAVZPY-UHFFFAOYSA-N
Compound name
1,7-dimethyl-4-propan-2-ylcyclodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

210.23476 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.24204 152.6
[M+Na]+ 233.22398 155.4
[M-H]- 209.22748 152.3
[M+NH4]+ 228.26858 169.2
[M+K]+ 249.19792 154.5
[M+H-H2O]+ 193.23202 150.0
[M+HCOO]- 255.23296 168.0
[M+CH3COO]- 269.24861 188.0
[M+Na-2H]- 231.20943 151.0
[M]+ 210.23421 144.6
[M]- 210.23531 144.6
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