CID 155820204

2567504-84-9

Structural Information

Molecular Formula
C8H13ClO3
SMILES
COC1(CC(C1)C(=O)CCl)OC
InChI
InChI=1S/C8H13ClO3/c1-11-8(12-2)3-6(4-8)7(10)5-9/h6H,3-5H2,1-2H3
InChIKey
MYSBYIKKOYHMJT-UHFFFAOYSA-N
Compound name
2-chloro-1-(3,3-dimethoxycyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05533 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06261 133.5
[M+Na]+ 215.04455 140.8
[M-H]- 191.04805 137.3
[M+NH4]+ 210.08915 149.6
[M+K]+ 231.01849 142.1
[M+H-H2O]+ 175.05259 126.0
[M+HCOO]- 237.05353 150.7
[M+CH3COO]- 251.06918 185.0
[M+Na-2H]- 213.03000 138.6
[M]+ 192.05478 146.7
[M]- 192.05588 146.7
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.