CID 91636374

1434141-79-3

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC1(C(CC1O)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-6-8(13)11(7,4)5/h7-8,13H,6H2,1-5H3,(H,12,14)

InChIKey

XSSLOTCOOFGGJW-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-hydroxy-2,2-dimethylcyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 215.15215 Da
Monoisotopic Mass: 1.7
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	153.4
[M+Na]+	238.141368	158.3
[M-H]-	214.144874	155.9
[M+NH4]+	233.185973	167.1
[M+K]+	254.115308	161.0
[M+H-H2O]+	198.149410	144.6
[M+HCOO]-	260.150351	171.4
[M+CH3COO]-	274.166001	191.9
[M+Na-2H]-	236.126816	156.4
[M]+	215.15160142	162.7
[M]-	215.15269858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe