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

84
Patents

190.07605 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.083326 140.9
[M+Na]+ 213.065268 145.8
[M-H]- 189.068774 143.5
[M+NH4]+ 208.109873 161.0
[M+K]+ 229.039208 143.9
[M+H-H2O]+ 173.073310 136.3
[M+HCOO]- 235.074251 155.3
[M+CH3COO]- 249.089901 180.5
[M+Na-2H]- 211.050716 143.2
[M]+ 190.07550142 139.4
[M]- 190.07659858 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