CID 3948276

(4-bromophenyl)(cyclopropyl)methanamine

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CC1C(C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C10H12BrN/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10H,1-2,12H2

InChIKey

CFTNYXDVHSKCKL-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-cyclopropylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 225.0153 Da
Monoisotopic Mass: 2.3
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]+	226.02258	140.5
[M+Na]+	248.00452	152.3
[M-H]-	224.00802	150.0
[M+NH4]+	243.04912	157.3
[M+K]+	263.97846	140.5
[M+H-H2O]+	208.01256	139.6
[M+HCOO]-	270.01350	162.3
[M+CH3COO]-	284.02915	192.0
[M+Na-2H]-	245.98997	147.1
[M]+	225.01475	157.8
[M]-	225.01585	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe