CID 549960

1-ethyl-2-propylcyclohexane

Structural Information

Molecular Formula
C11H22
SMILES
CCCC1CCCCC1CC
InChI
InChI=1S/C11H22/c1-3-7-11-9-6-5-8-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKey
NNNKGLVDUYFBHS-UHFFFAOYSA-N
Compound name
1-ethyl-2-propylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

154.17215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.179426 138.2
[M+Na]+ 177.161368 142.5
[M-H]- 153.164874 140.7
[M+NH4]+ 172.205973 159.4
[M+K]+ 193.135308 141.0
[M+H-H2O]+ 137.169410 132.7
[M+HCOO]- 199.170351 157.7
[M+CH3COO]- 213.186001 179.8
[M+Na-2H]- 175.146816 141.7
[M]+ 154.17160142 134.8
[M]- 154.17269858 134.8
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