CID 73937

1-ethylcyclohexene

Structural Information

Molecular Formula
C8H14
SMILES
CCC1=CCCCC1
InChI
InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKey
IFVMAGPISVKRAR-UHFFFAOYSA-N
Compound name
1-ethylcyclohexene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

6316
Patents

110.10955 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.11683 122.8
[M+Na]+ 133.09877 128.5
[M-H]- 109.10227 125.9
[M+NH4]+ 128.14337 145.6
[M+K]+ 149.07271 127.6
[M+H-H2O]+ 93.106810 117.7
[M+HCOO]- 155.10775 144.8
[M+CH3COO]- 169.12340 169.2
[M+Na-2H]- 131.08422 129.7
[M]+ 110.10900 119.4
[M]- 110.11010 119.4
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