CID 64186

Nsc 193461

Structural Information

Molecular Formula

C₁₃H₂₂N₂S

SMILES

C1C2CC3CC1CC(C2)(C3)CN=C(CS)N

InChI

InChI=1S/C13H22N2S/c14-12(7-16)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11,16H,1-8H2,(H2,14,15)

InChIKey

IMSBTGCLUSHNQN-UHFFFAOYSA-N

Compound name

N'-(1-adamantylmethyl)-2-sulfanylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 238.15038 Da
Monoisotopic Mass: 2.5
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]+	239.157656	152.2
[M+Na]+	261.139598	152.8
[M-H]-	237.143104	147.1
[M+NH4]+	256.184203	176.9
[M+K]+	277.113538	150.5
[M+H-H2O]+	221.147640	146.8
[M+HCOO]-	283.148581	156.2
[M+CH3COO]-	297.164231	160.0
[M+Na-2H]-	259.125046	161.7
[M]+	238.14983142	153.1
[M]-	238.15092858	153.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.