CID 155819964

2296938-80-0

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₂

SMILES

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

InChI

InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-9-6-8(7-9)4-5-12/h8-9H,4-7H2,1-3H3,(H,13,14)

InChIKey

XSTXNBJJFKDFED-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(2-bromoethyl)cyclobutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 277.06775 Da
Monoisotopic Mass: 2.9
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]+	278.07503	154.6
[M+Na]+	300.05697	161.6
[M-H]-	276.06047	159.9
[M+NH4]+	295.10157	168.1
[M+K]+	316.03091	154.6
[M+H-H2O]+	260.06501	149.0
[M+HCOO]-	322.06595	171.7
[M+CH3COO]-	336.08160	200.7
[M+Na-2H]-	298.04242	158.8
[M]+	277.06720	180.7
[M]-	277.06830	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe