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

4
Patents

148.02911 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 122.7
[M+Na]+ 171.018328 130.1
[M-H]- 147.021834 126.5
[M+NH4]+ 166.062933 140.3
[M+K]+ 186.992268 131.4
[M+H-H2O]+ 131.026370 115.4
[M+HCOO]- 193.027311 140.3
[M+CH3COO]- 207.042961 176.1
[M+Na-2H]- 169.003776 129.4
[M]+ 148.02856142 133.3
[M]- 148.02965858 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