CID 71967771

1436095-50-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCC1(CCC1)O

InChI

InChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-7-10(13)5-4-6-10/h13H,4-7H2,1-3H3,(H,11,12)

InChIKey

YTMULNDZZRJNQY-UHFFFAOYSA-N

Compound name

tert-butyl N-[(1-hydroxycyclobutyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	202.143766	149.8
[M+Na]+	224.125708	153.4
[M-H]-	200.129214	151.7
[M+NH4]+	219.170313	163.4
[M+K]+	240.099648	156.1
[M+H-H2O]+	184.133750	140.5
[M+HCOO]-	246.134691	168.2
[M+CH3COO]-	260.150341	186.5
[M+Na-2H]-	222.111156	154.5
[M]+	201.13594142	158.0
[M]-	201.13703858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe