CID 12648279

3-methylpentanoyl chloride

Structural Information

Molecular Formula
C6H11ClO
SMILES
CCC(C)CC(=O)Cl
InChI
InChI=1S/C6H11ClO/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3
InChIKey
OGMHLZVDKIJTMN-UHFFFAOYSA-N
Compound name
3-methylpentanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

134.04984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 125.6
[M+Na]+ 157.03906 136.9
[M+NH4]+ 152.08366 134.2
[M+K]+ 173.01300 131.2
[M-H]- 133.04256 125.2
[M+Na-2H]- 155.02451 129.7
[M]+ 134.04929 127.2
[M]- 134.05039 127.2
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

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