CID 55302336

1-ethoxycyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CCOC1(CCC1)C(=O)O
InChI
InChI=1S/C7H12O3/c1-2-10-7(6(8)9)4-3-5-7/h2-5H2,1H3,(H,8,9)
InChIKey
JYCMFLSHXMJEAF-UHFFFAOYSA-N
Compound name
1-ethoxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

144.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 131.5
[M+Na]+ 167.06786 136.3
[M+NH4]+ 162.11246 136.3
[M+K]+ 183.04180 132.4
[M-H]- 143.07136 128.4
[M+Na-2H]- 165.05331 134.1
[M]+ 144.07809 130.0
[M]- 144.07919 130.0
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

patents stripe