CID 13814118

Methyl 2-(2,2-dimethyl-3-oxocyclobutyl)acetate

Structural Information

Molecular Formula
C9H14O3
SMILES
CC1(C(CC1=O)CC(=O)OC)C
InChI
InChI=1S/C9H14O3/c1-9(2)6(4-7(9)10)5-8(11)12-3/h6H,4-5H2,1-3H3
InChIKey
PNWUEQSTDZUMGZ-UHFFFAOYSA-N
Compound name
methyl 2-(2,2-dimethyl-3-oxocyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 134.1
[M+Na]+ 193.08352 141.2
[M-H]- 169.08702 138.3
[M+NH4]+ 188.12812 150.4
[M+K]+ 209.05746 144.0
[M+H-H2O]+ 153.09156 125.8
[M+HCOO]- 215.09250 155.2
[M+CH3COO]- 229.10815 183.8
[M+Na-2H]- 191.06897 138.1
[M]+ 170.09375 145.4
[M]- 170.09485 145.4
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.