CID 35411

1-methyl-1-ethylcyclohexane

Structural Information

Molecular Formula
C9H18
SMILES
CCC1(CCCCC1)C
InChI
InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3
InChIKey
YPJRYQGOKHKNKZ-UHFFFAOYSA-N
Compound name
1-ethyl-1-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

995
Patents

126.140854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 129.2
[M+Na]+ 149.13007 134.3
[M-H]- 125.13358 132.1
[M+NH4]+ 144.17468 153.3
[M+K]+ 165.10401 133.6
[M+H-H2O]+ 109.13811 124.6
[M+HCOO]- 171.13906 149.4
[M+CH3COO]- 185.15470 172.2
[M+Na-2H]- 147.11552 135.5
[M]+ 126.14031 125.0
[M]- 126.14140 125.0
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