CID 132343835

2137914-58-8

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC(C)(C)OC(=O)[C@@H]1CC[C@H]1CO

InChI

InChI=1S/C10H18O3/c1-10(2,3)13-9(12)8-5-4-7(8)6-11/h7-8,11H,4-6H2,1-3H3/t7-,8+/m0/s1

InChIKey

BNZGNYMPECNOBL-JGVFFNPUSA-N

Compound name

cis-tert-butyl (1R,2R)-2-(hydroxymethyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.1256 Da
Monoisotopic Mass: 1.1
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]+	187.132876	142.5
[M+Na]+	209.114818	147.2
[M-H]-	185.118324	144.6
[M+NH4]+	204.159423	155.4
[M+K]+	225.088758	149.8
[M+H-H2O]+	169.122860	132.9
[M+HCOO]-	231.123801	160.1
[M+CH3COO]-	245.139451	184.0
[M+Na-2H]-	207.100266	145.5
[M]+	186.12505142	151.7
[M]-	186.12614858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe