CID 45092054

2551117-01-0

Structural Information

Molecular Formula

C₉H₁₆ClNO₂

SMILES

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

InChI

InChI=1S/C9H16ClNO2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5H2,1-3H3,(H,11,12)

InChIKey

KNWBCAPMZWECQF-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-chlorocyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.08696 Da
Monoisotopic Mass: 2.1
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]+	206.09424	143.6
[M+Na]+	228.07618	149.2
[M-H]-	204.07968	146.9
[M+NH4]+	223.12078	157.1
[M+K]+	244.05012	150.2
[M+H-H2O]+	188.08422	134.3
[M+HCOO]-	250.08516	159.4
[M+CH3COO]-	264.10081	189.4
[M+Na-2H]-	226.06163	147.4
[M]+	205.08641	153.8
[M]-	205.08751	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe