CID 2734098

3-cyclohexylpropanoyl chloride

Structural Information

Molecular Formula
C9H15ClO
SMILES
C1CCC(CC1)CCC(=O)Cl
InChI
InChI=1S/C9H15ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
JUADTOTVJUYCRQ-UHFFFAOYSA-N
Compound name
3-cyclohexylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

538
Patents

174.08115 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08843 138.1
[M+Na]+ 197.07037 143.2
[M-H]- 173.07387 140.5
[M+NH4]+ 192.11497 158.8
[M+K]+ 213.04431 140.3
[M+H-H2O]+ 157.07841 133.4
[M+HCOO]- 219.07935 153.2
[M+CH3COO]- 233.09500 178.3
[M+Na-2H]- 195.05582 141.6
[M]+ 174.08060 135.7
[M]- 174.08170 135.7
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