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]+ 157.085916 132.8
[M+Na]+ 179.067858 138.3
[M-H]- 155.071364 136.5
[M+NH4]+ 174.112463 149.0
[M+K]+ 195.041798 141.8
[M+H-H2O]+ 139.075900 124.1
[M+HCOO]- 201.076841 153.3
[M+CH3COO]- 215.092491 179.5
[M+Na-2H]- 177.053306 137.2
[M]+ 156.07809142 142.4
[M]- 156.07918858 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.