CID 132327530

2-(3-chloropropyl)cyclobutan-1-one

Structural Information

Molecular Formula
C7H11ClO
SMILES
C1CC(=O)C1CCCCl
InChI
InChI=1S/C7H11ClO/c8-5-1-2-6-3-4-7(6)9/h6H,1-5H2
InChIKey
MRYGMAPAAWJVMQ-UHFFFAOYSA-N
Compound name
2-(3-chloropropyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.04984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05712 122.6
[M+Na]+ 169.03906 130.1
[M-H]- 145.04256 126.0
[M+NH4]+ 164.08366 138.8
[M+K]+ 185.01300 130.2
[M+H-H2O]+ 129.04710 114.3
[M+HCOO]- 191.04804 140.6
[M+CH3COO]- 205.06369 177.9
[M+Na-2H]- 167.02451 128.4
[M]+ 146.04929 132.9
[M]- 146.05039 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.