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	158.4
[M+Na]+	292.06712	167.0
[M-H]-	268.07062	165.4
[M+NH4]+	287.11172	178.8
[M+K]+	308.04106	156.9
[M+H-H2O]+	252.07516	157.2
[M+HCOO]-	314.07610	178.4
[M+CH3COO]-	328.09175	203.7
[M+Na-2H]-	290.05257	161.6
[M]+	269.07735	177.7
[M]-	269.07845	177.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe