CID 3023090

1-cyclohexylethyl ethyl carbonate

Structural Information

Molecular Formula
C11H20O3
SMILES
CCOC(=O)OC(C)C1CCCCC1
InChI
InChI=1S/C11H20O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKey
RMEKEYDDFDWNSG-UHFFFAOYSA-N
Compound name
1-cyclohexylethyl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

200.14125 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 147.8
[M+Na]+ 223.130468 151.1
[M-H]- 199.133974 150.1
[M+NH4]+ 218.175073 166.6
[M+K]+ 239.104408 151.3
[M+H-H2O]+ 183.138510 141.7
[M+HCOO]- 245.139451 166.2
[M+CH3COO]- 259.155101 184.0
[M+Na-2H]- 221.115916 149.4
[M]+ 200.14070142 146.3
[M]- 200.14179858 146.3
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