CID 62830880

1803596-30-6

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CC1(CC2=CC=CC=C2Br)N

InChI

InChI=1S/C10H12BrN/c11-9-4-2-1-3-8(9)7-10(12)5-6-10/h1-4H,5-7,12H2

InChIKey

IXDNPBBWQOAMHU-UHFFFAOYSA-N

Compound name

1-[(2-bromophenyl)methyl]cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
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]+	226.022576	140.0
[M+Na]+	248.004518	152.8
[M-H]-	224.008024	149.8
[M+NH4]+	243.049123	158.7
[M+K]+	263.978458	141.6
[M+H-H2O]+	208.012560	140.2
[M+HCOO]-	270.013501	162.4
[M+CH3COO]-	284.029151	190.8
[M+Na-2H]-	245.989966	148.7
[M]+	225.01475142	158.5
[M]-	225.01584858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe