CID 77346

Cyclohexanol, 1-ethyl-, acetate

Structural Information

Molecular Formula
C10H18O2
SMILES
CCC1(CCCCC1)OC(=O)C
InChI
InChI=1S/C10H18O2/c1-3-10(12-9(2)11)7-5-4-6-8-10/h3-8H2,1-2H3
InChIKey
XNXQRDXUIDHJNY-UHFFFAOYSA-N
Compound name
(1-ethylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

170.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.4
[M+Na]+ 193.11990 144.3
[M-H]- 169.12340 142.2
[M+NH4]+ 188.16450 161.6
[M+K]+ 209.09384 144.0
[M+H-H2O]+ 153.12794 134.5
[M+HCOO]- 215.12888 159.0
[M+CH3COO]- 229.14453 178.3
[M+Na-2H]- 191.10535 144.0
[M]+ 170.13013 137.1
[M]- 170.13123 137.1
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

No patent data available for this compound.