CID 75525655

2-(3-ethoxycyclobutyl)acetic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC1CC(C1)CC(=O)O
InChI
InChI=1S/C8H14O3/c1-2-11-7-3-6(4-7)5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
SEKSMSMVDLNXHV-UHFFFAOYSA-N
Compound name
2-(3-ethoxycyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 132.5
[M+Na]+ 181.083518 137.4
[M-H]- 157.087024 134.5
[M+NH4]+ 176.128123 146.2
[M+K]+ 197.057458 140.0
[M+H-H2O]+ 141.091560 122.4
[M+HCOO]- 203.092501 152.2
[M+CH3COO]- 217.108151 179.1
[M+Na-2H]- 179.068966 135.8
[M]+ 158.09375142 141.6
[M]- 158.09484858 141.6
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.