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

5
Patents

154.17215 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.17943 137.1
[M+Na]+ 177.16137 142.4
[M-H]- 153.16487 140.1
[M+NH4]+ 172.20597 160.4
[M+K]+ 193.13531 141.1
[M+H-H2O]+ 137.16941 132.5
[M+HCOO]- 199.17035 156.7
[M+CH3COO]- 213.18600 179.3
[M+Na-2H]- 175.14682 141.7
[M]+ 154.17160 134.0
[M]- 154.17270 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