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 132.8
[M+Na]+ 179.06786 138.3
[M-H]- 155.07136 136.5
[M+NH4]+ 174.11246 149.0
[M+K]+ 195.04180 141.8
[M+H-H2O]+ 139.07590 124.1
[M+HCOO]- 201.07684 153.3
[M+CH3COO]- 215.09249 179.5
[M+Na-2H]- 177.05331 137.2
[M]+ 156.07809 142.4
[M]- 156.07919 142.4
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.