CID 177798657

Tert-butyl n-[3-(bromomethyl)-3-methylcyclobutyl]carbamate

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₂

SMILES

CC1(CC(C1)NC(=O)OC(C)(C)C)CBr

InChI

InChI=1S/C11H20BrNO2/c1-10(2,3)15-9(14)13-8-5-11(4,6-8)7-12/h8H,5-7H2,1-4H3,(H,13,14)

InChIKey

AJEMUIPGDVEHOO-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(bromomethyl)-3-methylcyclobutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	278.075026	153.5
[M+Na]+	300.056968	161.3
[M-H]-	276.060474	159.3
[M+NH4]+	295.101573	169.0
[M+K]+	316.030908	154.4
[M+H-H2O]+	260.065010	149.6
[M+HCOO]-	322.065951	170.7
[M+CH3COO]-	336.081601	200.2
[M+Na-2H]-	298.042416	159.0
[M]+	277.06720142	180.2
[M]-	277.06829858	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.