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

1
Patents

146.04984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.057116 122.6
[M+Na]+ 169.039058 130.1
[M-H]- 145.042564 126.0
[M+NH4]+ 164.083663 138.8
[M+K]+ 185.012998 130.2
[M+H-H2O]+ 129.047100 114.3
[M+HCOO]- 191.048041 140.6
[M+CH3COO]- 205.063691 177.9
[M+Na-2H]- 167.024506 128.4
[M]+ 146.04929142 132.9
[M]- 146.05038858 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

patents stripe