CID 125113220

Methyl 1-ethoxycyclobutane-1-carboxylate

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC1(CCC1)C(=O)OC
InChI
InChI=1S/C8H14O3/c1-3-11-8(5-4-6-8)7(9)10-2/h3-6H2,1-2H3
InChIKey
ZZRBXQCIHJNXKF-UHFFFAOYSA-N
Compound name
methyl 1-ethoxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.5
[M+Na]+ 181.08352 138.0
[M-H]- 157.08702 136.1
[M+NH4]+ 176.12812 148.8
[M+K]+ 197.05746 141.6
[M+H-H2O]+ 141.09156 123.7
[M+HCOO]- 203.09250 153.9
[M+CH3COO]- 217.10815 179.5
[M+Na-2H]- 179.06897 138.2
[M]+ 158.09375 143.5
[M]- 158.09485 143.5
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.