CID 21716982

17205-02-6

Structural Information

Molecular Formula
C7H12O3
SMILES
CCOC(=O)C1CC(C1)O
InChI
InChI=1S/C7H12O3/c1-2-10-7(9)5-3-6(8)4-5/h5-6,8H,2-4H2,1H3
InChIKey
KTVUZBJHOAPDGC-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

144.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 127.9
[M+Na]+ 167.06786 133.3
[M-H]- 143.07136 130.2
[M+NH4]+ 162.11246 142.3
[M+K]+ 183.04180 136.2
[M+H-H2O]+ 127.07590 118.1
[M+HCOO]- 189.07684 148.0
[M+CH3COO]- 203.09249 175.5
[M+Na-2H]- 165.05331 131.8
[M]+ 144.07809 136.6
[M]- 144.07919 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe