CID 2750694

1-ethyl-3-methylcyclohexan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CCC1(CCCC(C1)C)O
InChI
InChI=1S/C9H18O/c1-3-9(10)6-4-5-8(2)7-9/h8,10H,3-7H2,1-2H3
InChIKey
DWOSOCLEZSERQX-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

142.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 132.5
[M+Na]+ 165.12499 138.2
[M-H]- 141.12849 134.4
[M+NH4]+ 160.16959 155.5
[M+K]+ 181.09893 137.0
[M+H-H2O]+ 125.13303 128.4
[M+HCOO]- 187.13397 151.4
[M+CH3COO]- 201.14962 172.5
[M+Na-2H]- 163.11044 137.7
[M]+ 142.13522 128.3
[M]- 142.13632 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe