CID 166217

1-ethyl-6-methylcyclohexene

Structural Information

Molecular Formula
C9H16
SMILES
CCC1=CCCCC1C
InChI
InChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h7-8H,3-6H2,1-2H3
InChIKey
SZQINPXTYBNYCZ-UHFFFAOYSA-N
Compound name
1-ethyl-6-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

124.1252 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.132476 126.6
[M+Na]+ 147.114418 132.9
[M-H]- 123.117924 130.0
[M+NH4]+ 142.159023 149.2
[M+K]+ 163.088358 131.8
[M+H-H2O]+ 107.122460 121.7
[M+HCOO]- 169.123401 148.4
[M+CH3COO]- 183.139051 173.3
[M+Na-2H]- 145.099866 132.4
[M]+ 124.12465142 124.1
[M]- 124.12574858 124.1
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