CID 79559676

Methyl 1-acetylcyclobutane-1-carboxylate

Structural Information

Molecular Formula
C8H12O3
SMILES
CC(=O)C1(CCC1)C(=O)OC
InChI
InChI=1S/C8H12O3/c1-6(9)8(4-3-5-8)7(10)11-2/h3-5H2,1-2H3
InChIKey
YWCHBIPBDZGWES-UHFFFAOYSA-N
Compound name
methyl 1-acetylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 135.8
[M+Na]+ 179.06786 140.7
[M+NH4]+ 174.11246 140.4
[M+K]+ 195.04180 136.9
[M-H]- 155.07136 132.8
[M+Na-2H]- 177.05331 138.2
[M]+ 156.07809 134.3
[M]- 156.07919 134.3
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

No patent data available for this compound.