CID 10657125

1-(2-ethylbutyl)cyclohexanecarbonyl chloride

Structural Information

Molecular Formula
C13H23ClO
SMILES
CCC(CC)CC1(CCCCC1)C(=O)Cl
InChI
InChI=1S/C13H23ClO/c1-3-11(4-2)10-13(12(14)15)8-6-5-7-9-13/h11H,3-10H2,1-2H3
InChIKey
LAMMLENPKIOKSX-UHFFFAOYSA-N
Compound name
1-(2-ethylbutyl)cyclohexane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

230.14374 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15102 155.2
[M+Na]+ 253.13296 159.3
[M-H]- 229.13646 157.3
[M+NH4]+ 248.17756 175.7
[M+K]+ 269.10690 156.1
[M+H-H2O]+ 213.14100 150.8
[M+HCOO]- 275.14194 168.0
[M+CH3COO]- 289.15759 190.7
[M+Na-2H]- 251.11841 156.5
[M]+ 230.14319 153.9
[M]- 230.14429 153.9
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