CID 58134840

Ethyl 2-(1-hydroxycyclobutyl)acetate

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC(=O)CC1(CCC1)O
InChI
InChI=1S/C8H14O3/c1-2-11-7(9)6-8(10)4-3-5-8/h10H,2-6H2,1H3
InChIKey
MVBVPQPEBUXGLT-UHFFFAOYSA-N
Compound name
ethyl 2-(1-hydroxycyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

158.0943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.4
[M+Na]+ 181.08352 139.4
[M-H]- 157.08702 136.6
[M+NH4]+ 176.12812 149.9
[M+K]+ 197.05746 142.1
[M+H-H2O]+ 141.09156 125.6
[M+HCOO]- 203.09250 154.2
[M+CH3COO]- 217.10815 176.9
[M+Na-2H]- 179.06897 139.4
[M]+ 158.09375 143.4
[M]- 158.09485 143.4
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