CID 88242

Cyclohexene, 1-ethyl-2-methyl-

Structural Information

Molecular Formula
C9H16
SMILES
CCC1=C(CCCC1)C
InChI
InChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h3-7H2,1-2H3
InChIKey
CPCWTCKHZOBWJT-UHFFFAOYSA-N
Compound name
1-ethyl-2-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

72
Patents

124.1252 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.13248 126.6
[M+Na]+ 147.11442 132.9
[M-H]- 123.11792 130.0
[M+NH4]+ 142.15902 149.2
[M+K]+ 163.08836 131.8
[M+H-H2O]+ 107.12246 121.7
[M+HCOO]- 169.12340 148.4
[M+CH3COO]- 183.13905 173.3
[M+Na-2H]- 145.09987 132.4
[M]+ 124.12465 124.1
[M]- 124.12575 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