CID 57478432

Methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

COC(=O)C1(CCC1)CO

InChI

InChI=1S/C7H12O3/c1-10-6(9)7(5-8)3-2-4-7/h8H,2-5H2,1H3

InChIKey

VCGQWVIOCHFYDL-UHFFFAOYSA-N

Compound name

methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
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	129.7
[M+Na]+	167.067858	135.2
[M-H]-	143.071364	132.1
[M+NH4]+	162.112463	145.8
[M+K]+	183.041798	138.1
[M+H-H2O]+	127.075900	121.2
[M+HCOO]-	189.076841	149.9
[M+CH3COO]-	203.092491	174.0
[M+Na-2H]-	165.053306	135.3
[M]+	144.07809142	138.4
[M]-	144.07918858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe