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

974
Patents

126.140854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.148130 129.2
[M+Na]+ 149.130072 134.3
[M-H]- 125.133578 132.1
[M+NH4]+ 144.174677 153.3
[M+K]+ 165.104012 133.6
[M+H-H2O]+ 109.138114 124.6
[M+HCOO]- 171.139055 149.4
[M+CH3COO]- 185.154705 172.2
[M+Na-2H]- 147.115520 135.5
[M]+ 126.14030542 125.0
[M]- 126.14140258 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