CID 65995144

917827-87-3

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N(C)CC1CC(C1)O

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12(4)7-8-5-9(13)6-8/h8-9,13H,5-7H2,1-4H3

InChIKey

KKKMFQGBTLEZTR-UHFFFAOYSA-N

Compound name

tert-butyl N-[(3-hydroxycyclobutyl)methyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 215.15215 Da
Monoisotopic Mass: 1.2
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]+	216.159426	153.1
[M+Na]+	238.141368	156.4
[M-H]-	214.144874	156.2
[M+NH4]+	233.185973	165.0
[M+K]+	254.115308	160.3
[M+H-H2O]+	198.149410	142.2
[M+HCOO]-	260.150351	171.7
[M+CH3COO]-	274.166001	194.4
[M+Na-2H]-	236.126816	154.7
[M]+	215.15160142	162.8
[M]-	215.15269858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe