CID 549978

1,1-dimethyl-2-propylcyclohexane

Structural Information

Molecular Formula
C11H22
SMILES
CCCC1CCCCC1(C)C
InChI
InChI=1S/C11H22/c1-4-7-10-8-5-6-9-11(10,2)3/h10H,4-9H2,1-3H3
InChIKey
XKMQXWSKJIGVIO-UHFFFAOYSA-N
Compound name
1,1-dimethyl-2-propylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

154.17215 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.179426 137.1
[M+Na]+ 177.161368 142.4
[M-H]- 153.164874 140.1
[M+NH4]+ 172.205973 160.4
[M+K]+ 193.135308 141.1
[M+H-H2O]+ 137.169410 132.5
[M+HCOO]- 199.170351 156.7
[M+CH3COO]- 213.186001 179.3
[M+Na-2H]- 175.146816 141.7
[M]+ 154.17160142 134.0
[M]- 154.17269858 134.0
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