CID 55300759

848666-52-4

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

C1CC(C1)COCC(=O)O

InChI

InChI=1S/C7H12O3/c8-7(9)5-10-4-6-2-1-3-6/h6H,1-5H2,(H,8,9)

InChIKey

XQRSXUWQCXPSJS-UHFFFAOYSA-N

Compound name

2-(cyclobutylmethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 144.07864 Da
Monoisotopic Mass: 1.0
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	128.0
[M+Na]+	167.067858	132.4
[M-H]-	143.071364	129.8
[M+NH4]+	162.112463	141.9
[M+K]+	183.041798	135.3
[M+H-H2O]+	127.075900	117.9
[M+HCOO]-	189.076841	148.1
[M+CH3COO]-	203.092491	175.1
[M+Na-2H]-	165.053306	132.5
[M]+	144.07809142	136.4
[M]-	144.07918858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe