CID 22325076

387845-49-0

Structural Information

Molecular Formula

C₉H₁₆BrNO₂

SMILES

CC(C)(C)OC(=O)NC1(CC1)CBr

InChI

InChI=1S/C9H16BrNO2/c1-8(2,3)13-7(12)11-9(6-10)4-5-9/h4-6H2,1-3H3,(H,11,12)

InChIKey

BESSNJVSPVAKNI-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(bromomethyl)cyclopropyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 249.03644 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]+	250.04372	143.1
[M+Na]+	272.02566	144.8
[M+NH4]+	267.07026	148.7
[M+K]+	287.99960	146.3
[M-H]-	248.02916	148.1
[M+Na-2H]-	270.01111	148.2
[M]+	249.03589	144.6
[M]-	249.03699	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe