CID 12610334

209549-17-7

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

COC(=O)C1CCC1CO

InChI

InChI=1S/C7H12O3/c1-10-7(9)6-3-2-5(6)4-8/h5-6,8H,2-4H2,1H3

InChIKey

HVAGTCIDQYNDNN-UHFFFAOYSA-N

Compound name

methyl 2-(hydroxymethyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 144.07864 Da
Monoisotopic Mass: 0.1
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]+	145.08592	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

Literature stripe

literature stripe

Patent stripe

patents stripe