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

3825
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

literature stripe

Patent stripe

patents stripe