CID 522474

1-butyl-2-ethylcyclopentane

Structural Information

Molecular Formula
C11H22
SMILES
CCCCC1CCCC1CC
InChI
InChI=1S/C11H22/c1-3-5-7-11-9-6-8-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKey
YJMFUCKUZMNZLY-UHFFFAOYSA-N
Compound name
1-butyl-2-ethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

154.17215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.17943 139.4
[M+Na]+ 177.16137 144.7
[M-H]- 153.16487 142.1
[M+NH4]+ 172.20597 162.5
[M+K]+ 193.13531 143.1
[M+H-H2O]+ 137.16941 134.1
[M+HCOO]- 199.17035 161.0
[M+CH3COO]- 213.18600 179.6
[M+Na-2H]- 175.14682 141.5
[M]+ 154.17160 138.1
[M]- 154.17270 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

literature stripe

Patent stripe

patents stripe