CID 118257545

1802048-91-4

Structural Information

Molecular Formula

C₉H₁₆BrNO₃

SMILES

CC(C)(C)OC(=O)NC1(COC1)CBr

InChI

InChI=1S/C9H16BrNO3/c1-8(2,3)14-7(12)11-9(4-10)5-13-6-9/h4-6H2,1-3H3,(H,11,12)

InChIKey

SEUDVXPZTLKDKT-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(bromomethyl)oxetan-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 265.03137 Da
Monoisotopic Mass: 1.2
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]+	266.03865	146.0
[M+Na]+	288.02059	153.5
[M-H]-	264.02409	152.3
[M+NH4]+	283.06519	160.4
[M+K]+	303.99453	148.5
[M+H-H2O]+	248.02863	142.0
[M+HCOO]-	310.02957	163.2
[M+CH3COO]-	324.04522	195.6
[M+Na-2H]-	286.00604	154.3
[M]+	265.03082	173.6
[M]-	265.03192	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe