CID 114533

1-cyclohexylethyl acetate

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C1CCCCC1)OC(=O)C
InChI
InChI=1S/C10H18O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3
InChIKey
JAVZALBKNIHSLL-UHFFFAOYSA-N
Compound name
1-cyclohexylethyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

517
Patents

170.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.9
[M+Na]+ 193.11990 143.6
[M-H]- 169.12340 142.4
[M+NH4]+ 188.16450 160.0
[M+K]+ 209.09384 143.6
[M+H-H2O]+ 153.12794 134.3
[M+HCOO]- 215.12888 158.5
[M+CH3COO]- 229.14453 179.7
[M+Na-2H]- 191.10535 142.1
[M]+ 170.13013 136.7
[M]- 170.13123 136.7
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