CID 66037788

1482192-75-5

Structural Information

Molecular Formula

C₁₀H₁₂BrNS

SMILES

C1CC1(CN)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C10H12BrNS/c11-8-1-3-9(4-2-8)13-10(7-12)5-6-10/h1-4H,5-7,12H2

InChIKey

DSYUDWWTYFPDSK-UHFFFAOYSA-N

Compound name

[1-(4-bromophenyl)sulfanylcyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.98737 Da
Monoisotopic Mass: 2.6
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]+	257.994646	135.1
[M+Na]+	279.976588	148.1
[M-H]-	255.980094	144.8
[M+NH4]+	275.021193	153.2
[M+K]+	295.950528	136.1
[M+H-H2O]+	239.984630	135.4
[M+HCOO]-	301.985571	152.9
[M+CH3COO]-	316.001221	150.2
[M+Na-2H]-	277.962036	142.2
[M]+	256.98682142	155.6
[M]-	256.98791858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.