CID 111727

Allyl cyclohexyloxyacetate

Structural Information

Molecular Formula
C11H18O3
SMILES
C=CCOC(=O)COC1CCCCC1
InChI
InChI=1S/C11H18O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2,10H,1,3-9H2
InChIKey
MBUYSYKXSMTIPP-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-cyclohexyloxyacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1513
Patents

198.1256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 145.9
[M+Na]+ 221.11482 149.6
[M-H]- 197.11832 148.1
[M+NH4]+ 216.15942 164.7
[M+K]+ 237.08876 148.7
[M+H-H2O]+ 181.12286 139.7
[M+HCOO]- 243.12380 165.5
[M+CH3COO]- 257.13945 183.0
[M+Na-2H]- 219.10027 148.8
[M]+ 198.12505 144.5
[M]- 198.12615 144.5
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