CID 598770

98816-61-6

Structural Information

Molecular Formula

C₁₃H₂₀BrN

SMILES

CC(C)N(CC1=CC=C(C=C1)Br)C(C)C

InChI

InChI=1S/C13H20BrN/c1-10(2)15(11(3)4)9-12-5-7-13(14)8-6-12/h5-8,10-11H,9H2,1-4H3

InChIKey

SNGBVBNOXIPZGP-UHFFFAOYSA-N

Compound name

N-[(4-bromophenyl)methyl]-N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 269.0779 Da
Monoisotopic Mass: 4.0
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]+	270.08518	152.7
[M+Na]+	292.06712	155.1
[M+NH4]+	287.11172	157.9
[M+K]+	308.04106	154.9
[M-H]-	268.07062	154.4
[M+Na-2H]-	290.05257	156.1
[M]+	269.07735	152.3
[M]-	269.07845	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe