CID 549909

Cyclohexane, 2-propyl-1,1,3-trimethyl-

Structural Information

Molecular Formula
C12H24
SMILES
CCCC1C(CCCC1(C)C)C
InChI
InChI=1S/C12H24/c1-5-7-11-10(2)8-6-9-12(11,3)4/h10-11H,5-9H2,1-4H3
InChIKey
AOJINVFBSSUEIK-UHFFFAOYSA-N
Compound name
1,1,3-trimethyl-2-propylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

168.1878 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 140.3
[M+Na]+ 191.177018 146.2
[M-H]- 167.180524 143.5
[M+NH4]+ 186.221623 163.5
[M+K]+ 207.150958 144.7
[M+H-H2O]+ 151.185060 135.9
[M+HCOO]- 213.186001 159.6
[M+CH3COO]- 227.201651 183.5
[M+Na-2H]- 189.162466 143.9
[M]+ 168.18725142 138.1
[M]- 168.18834858 138.1
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