CID 102753

1-cyclohexyl-1-propyl acetate

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

119
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 144.2
[M+Na]+ 207.13555 153.5
[M+NH4]+ 202.18015 152.4
[M+K]+ 223.10949 148.0
[M-H]- 183.13905 145.4
[M+Na-2H]- 205.12100 148.0
[M]+ 184.14578 145.6
[M]- 184.14688 145.6
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