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: 300
Patents: 144.07864 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	145.085916	127.9
[M+Na]+	167.067858	133.3
[M-H]-	143.071364	130.2
[M+NH4]+	162.112463	142.3
[M+K]+	183.041798	136.2
[M+H-H2O]+	127.075900	118.1
[M+HCOO]-	189.076841	148.0
[M+CH3COO]-	203.092491	175.5
[M+Na-2H]-	165.053306	131.8
[M]+	144.07809142	136.6
[M]-	144.07918858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe