CID 22034852

Allyl cyclohexylacetate

Structural Information

Molecular Formula
C11H18O2
SMILES
C=CCOC(=O)CC1CCCCC1
InChI
InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2
InChIKey
UECFOOSFSUDPOR-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-cyclohexylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

541
Patents

182.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 143.0
[M+Na]+ 205.119898 146.8
[M-H]- 181.123404 145.2
[M+NH4]+ 200.164503 162.5
[M+K]+ 221.093838 145.4
[M+H-H2O]+ 165.127940 137.1
[M+HCOO]- 227.128881 162.4
[M+CH3COO]- 241.144531 180.9
[M+Na-2H]- 203.105346 145.9
[M]+ 182.13013142 140.1
[M]- 182.13122858 140.1
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