CID 25220830

1142211-17-3

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NC1(CCC1)CO

InChI

InChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11-10(7-12)5-4-6-10/h12H,4-7H2,1-3H3,(H,11,13)

InChIKey

CLRGYDRXIYIAHC-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(hydroxymethyl)cyclobutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 201.13649 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]+	202.14377	150.9
[M+Na]+	224.12571	153.6
[M+NH4]+	219.17031	154.5
[M+K]+	240.09965	150.4
[M-H]-	200.12921	147.2
[M+Na-2H]-	222.11116	152.1
[M]+	201.13594	148.9
[M]-	201.13704	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe