CID 76240

2-propylvaleryl chloride

Structural Information

Molecular Formula
C8H15ClO
SMILES
CCCC(CCC)C(=O)Cl
InChI
InChI=1S/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3
InChIKey
PITHYUDHKJKJNQ-UHFFFAOYSA-N
Compound name
2-propylpentanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

716
Patents

162.08115 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08843 134.6
[M+Na]+ 185.07037 145.5
[M+NH4]+ 180.11497 142.8
[M+K]+ 201.04431 139.3
[M-H]- 161.07387 134.0
[M+Na-2H]- 183.05582 138.1
[M]+ 162.08060 136.1
[M]- 162.08170 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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