CID 2771995

1171352-71-8

Structural Information

Molecular Formula

C₁₁H₁₅N₃S

SMILES

CSCCC(C1=NC2=CC=CC=C2N1)N

InChI

InChI=1S/C11H15N3S/c1-15-7-6-8(12)11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7,12H2,1H3,(H,13,14)

InChIKey

WWNOVKZOKFLYAF-UHFFFAOYSA-N

Compound name

1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 221.09866 Da
Monoisotopic Mass: 1.7
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]+	222.10594	147.2
[M+Na]+	244.08788	158.6
[M+NH4]+	239.13248	155.7
[M+K]+	260.06182	152.0
[M-H]-	220.09138	148.9
[M+Na-2H]-	242.07333	152.3
[M]+	221.09811	149.6
[M]-	221.09921	149.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.