CID 130671734

1-(chloromethyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C6H9ClO
SMILES
C1CC(C1)(CCl)C=O
InChI
InChI=1S/C6H9ClO/c7-4-6(5-8)2-1-3-6/h5H,1-4H2
InChIKey
KLAOGZIERWPFRS-UHFFFAOYSA-N
Compound name
1-(chloromethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.0342 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.041476 118.8
[M+Na]+ 155.023418 126.8
[M-H]- 131.026924 122.6
[M+NH4]+ 150.068023 137.3
[M+K]+ 170.997358 127.0
[M+H-H2O]+ 115.031460 111.8
[M+HCOO]- 177.032401 137.3
[M+CH3COO]- 191.048051 173.5
[M+Na-2H]- 153.008866 126.9
[M]+ 132.03365142 128.7
[M]- 132.03474858 128.7
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.