CID 22408683

142733-64-0

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NC1CC(C1)CO

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-8-4-7(5-8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)

InChIKey

PCPNTJQMXAHNOA-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 290
Patents: 201.13649 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]+	202.14377	148.6
[M+Na]+	224.12571	152.1
[M-H]-	200.12921	150.5
[M+NH4]+	219.17031	160.5
[M+K]+	240.09965	154.9
[M+H-H2O]+	184.13375	138.0
[M+HCOO]-	246.13469	167.0
[M+CH3COO]-	260.15034	188.2
[M+Na-2H]-	222.11116	151.4
[M]+	201.13594	156.8
[M]-	201.13704	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe