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]+ 133.04148 118.8
[M+Na]+ 155.02342 126.8
[M-H]- 131.02692 122.6
[M+NH4]+ 150.06802 137.3
[M+K]+ 170.99736 127.0
[M+H-H2O]+ 115.03146 111.8
[M+HCOO]- 177.03240 137.3
[M+CH3COO]- 191.04805 173.5
[M+Na-2H]- 153.00887 126.9
[M]+ 132.03365 128.7
[M]- 132.03475 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.