CID 549894

Cyclooctane, (1-methylpropyl)-

Structural Information

Molecular Formula
C12H24
SMILES
CCC(C)C1CCCCCCC1
InChI
InChI=1S/C12H24/c1-3-11(2)12-9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3
InChIKey
WWQZOWLEGAPJPX-UHFFFAOYSA-N
Compound name
butan-2-ylcyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

168.1878 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 148.2
[M+Na]+ 191.177018 151.3
[M-H]- 167.180524 149.5
[M+NH4]+ 186.221623 157.4
[M+K]+ 207.150958 151.8
[M+H-H2O]+ 151.185060 144.7
[M+HCOO]- 213.186001 156.3
[M+CH3COO]- 227.201651 221.8
[M+Na-2H]- 189.162466 147.6
[M]+ 168.18725142 145.9
[M]- 168.18834858 145.9
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

patents stripe