CID 102753

2114-32-1

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC(C1CCCCC1)OC(=O)C
InChI
InChI=1S/C11H20O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h10-11H,3-8H2,1-2H3
InChIKey
NGDJXKQCYPJVCL-UHFFFAOYSA-N
Compound name
1-cyclohexylpropyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

184.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 144.6
[M+Na]+ 207.13555 147.9
[M-H]- 183.13905 146.9
[M+NH4]+ 202.18015 164.1
[M+K]+ 223.10949 147.6
[M+H-H2O]+ 167.14359 138.8
[M+HCOO]- 229.14453 162.8
[M+CH3COO]- 243.16018 182.7
[M+Na-2H]- 205.12100 146.2
[M]+ 184.14578 141.8
[M]- 184.14688 141.8
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