CID 35413

1-ethyl-2-methylcyclohexane

Structural Information

Molecular Formula
C9H18
SMILES
CCC1CCCCC1C
InChI
InChI=1S/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3
InChIKey
XARGIVYWQPXRTC-UHFFFAOYSA-N
Compound name
1-ethyl-2-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

809
Patents

126.140854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 129.0
[M+Na]+ 149.13007 140.7
[M+NH4]+ 144.17468 139.2
[M+K]+ 165.10401 133.4
[M-H]- 125.13358 132.1
[M+Na-2H]- 147.11552 135.0
[M]+ 126.14031 131.5
[M]- 126.14140 131.5
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