CID 14028839

Tetrapropylene

Structural Information

Molecular Formula
C12H24
SMILES
CC1CC(CC(CC(C1)C)C)C
InChI
InChI=1S/C12H24/c1-9-5-10(2)7-12(4)8-11(3)6-9/h9-12H,5-8H2,1-4H3
InChIKey
BZJTUOGZUKFLQT-UHFFFAOYSA-N
Compound name
1,3,5,7-tetramethylcyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3980
Patents

168.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.19508 150.1
[M+Na]+ 191.17702 154.5
[M-H]- 167.18052 151.9
[M+NH4]+ 186.22162 159.7
[M+K]+ 207.15096 154.8
[M+H-H2O]+ 151.18506 146.9
[M+HCOO]- 213.18600 158.5
[M+CH3COO]- 227.20165 222.9
[M+Na-2H]- 189.16247 148.9
[M]+ 168.18725 148.5
[M]- 168.18835 148.5
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.