CID 13592820

1-chloroethyl cyclohexanecarboxylate

Structural Information

Molecular Formula
C9H15ClO2
SMILES
CC(OC(=O)C1CCCCC1)Cl
InChI
InChI=1S/C9H15ClO2/c1-7(10)12-9(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKey
HDROJQNEUPUFCP-UHFFFAOYSA-N
Compound name
1-chloroethyl cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

190.07605 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08333 140.9
[M+Na]+ 213.06527 145.8
[M-H]- 189.06877 143.5
[M+NH4]+ 208.10987 161.0
[M+K]+ 229.03921 143.9
[M+H-H2O]+ 173.07331 136.3
[M+HCOO]- 235.07425 155.3
[M+CH3COO]- 249.08990 180.5
[M+Na-2H]- 211.05072 143.2
[M]+ 190.07550 139.4
[M]- 190.07660 139.4
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