CID 15564184

4-chloro-4-methylpentan-2-one

Structural Information

Molecular Formula
C6H11ClO
SMILES
CC(=O)CC(C)(C)Cl
InChI
InChI=1S/C6H11ClO/c1-5(8)4-6(2,3)7/h4H2,1-3H3
InChIKey
JMNYJOWPUIPWJD-UHFFFAOYSA-N
Compound name
4-chloro-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

134.04984 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 126.2
[M+Na]+ 157.03906 137.5
[M+NH4]+ 152.08366 134.7
[M+K]+ 173.01300 132.2
[M-H]- 133.04256 125.3
[M+Na-2H]- 155.02451 130.5
[M]+ 134.04929 127.8
[M]- 134.05039 127.8
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