CID 14546679

1-methoxycyclobutane-1-carbonyl chloride

Structural Information

Molecular Formula
C6H9ClO2
SMILES
COC1(CCC1)C(=O)Cl
InChI
InChI=1S/C6H9ClO2/c1-9-6(5(7)8)3-2-4-6/h2-4H2,1H3
InChIKey
ONYGRFODCWDWMN-UHFFFAOYSA-N
Compound name
1-methoxycyclobutane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

148.02911 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03639 122.7
[M+Na]+ 171.01833 130.1
[M-H]- 147.02183 126.5
[M+NH4]+ 166.06293 140.3
[M+K]+ 186.99227 131.4
[M+H-H2O]+ 131.02637 115.4
[M+HCOO]- 193.02731 140.3
[M+CH3COO]- 207.04296 176.1
[M+Na-2H]- 169.00378 129.4
[M]+ 148.02856 133.3
[M]- 148.02966 133.3
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