CID 155674690

2378421-09-9

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CCC1(CC(C1)NC(=O)OC(C)(C)C)O

InChI

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

InChIKey

GNRKLGAWXDTQAR-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-ethyl-3-hydroxycyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 215.15215 Da
Monoisotopic Mass: 1.6
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]+	216.15943	154.0
[M+Na]+	238.14137	158.0
[M-H]-	214.14487	156.1
[M+NH4]+	233.18597	167.3
[M+K]+	254.11531	160.6
[M+H-H2O]+	198.14941	144.8
[M+HCOO]-	260.15035	172.0
[M+CH3COO]-	274.16600	190.6
[M+Na-2H]-	236.12682	157.5
[M]+	215.15160	162.9
[M]-	215.15270	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe