CID 22325076

N-boc-1-(bromomethyl)cyclopropanamine

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: 71
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	149.9
[M+Na]+	272.02566	161.5
[M-H]-	248.02916	157.0
[M+NH4]+	267.07026	168.0
[M+K]+	287.99960	151.2
[M+H-H2O]+	232.03370	150.5
[M+HCOO]-	294.03464	169.4
[M+CH3COO]-	308.05029	193.9
[M+Na-2H]-	270.01111	157.6
[M]+	249.03589	171.4
[M]-	249.03699	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe