CID 130367

70974-82-2

Structural Information

Molecular Formula

C₁₅H₁₇Br₂N

SMILES

CC1=CC2=CC=CC=C2C(=C1)N(CCBr)CCBr

InChI

InChI=1S/C15H17Br2N/c1-12-10-13-4-2-3-5-14(13)15(11-12)18(8-6-16)9-7-17/h2-5,10-11H,6-9H2,1H3

InChIKey

YTSZNIWMCGRFHU-UHFFFAOYSA-N

Compound name

N,N-bis(2-bromoethyl)-3-methylnaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 368.97278 Da
Monoisotopic Mass: 5.2
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]+	369.98006	163.4
[M+Na]+	391.96200	172.5
[M-H]-	367.96550	171.1
[M+NH4]+	387.00660	181.3
[M+K]+	407.93594	156.9
[M+H-H2O]+	351.97004	170.2
[M+HCOO]-	413.97098	179.1
[M+CH3COO]-	427.98663	219.5
[M+Na-2H]-	389.94745	169.6
[M]+	368.97223	198.6
[M]-	368.97333	198.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.