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]+ 159.101576 132.5
[M+Na]+ 181.083518 138.0
[M-H]- 157.087024 136.1
[M+NH4]+ 176.128123 148.8
[M+K]+ 197.057458 141.6
[M+H-H2O]+ 141.091560 123.7
[M+HCOO]- 203.092501 153.9
[M+CH3COO]- 217.108151 179.5
[M+Na-2H]- 179.068966 138.2
[M]+ 158.09375142 143.5
[M]- 158.09484858 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.