CID 72207861

Ethyl 2-(3-hydroxycyclobutyl)acetate

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC(=O)CC1CC(C1)O
InChI
InChI=1S/C8H14O3/c1-2-11-8(10)5-6-3-7(9)4-6/h6-7,9H,2-5H2,1H3
InChIKey
AVEZUPSKZQQURH-UHFFFAOYSA-N
Compound name
ethyl 2-(3-hydroxycyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

158.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.6
[M+Na]+ 181.08352 137.6
[M-H]- 157.08702 134.7
[M+NH4]+ 176.12812 146.4
[M+K]+ 197.05746 140.3
[M+H-H2O]+ 141.09156 122.7
[M+HCOO]- 203.09250 152.4
[M+CH3COO]- 217.10815 178.5
[M+Na-2H]- 179.06897 136.0
[M]+ 158.09375 141.7
[M]- 158.09485 141.7
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